SCHEMBL9967889

SCHEMBL9967889

CC(C)(C)c1c(CO)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPRT1 P00492 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11358487 0.81 CYP2A6 (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL11891561 0.80 MAPT (0.38) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL2221239 0.76 PTPN22 (0.54) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL1096216 0.74 TSHR (0.56) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL2873053 0.74 CYP2A6 (0.56) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL4124570 0.74 HSD17B10 (0.46) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL8050013 0.73 HSD17B10 (0.50) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL30367845 0.73 HSD17B10 (0.50) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL15910482 0.72 HSD17B10 (0.44) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL15853168 0.72 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP2A6TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165811-A1 METHOD FOR TREATING SYMPTOMS OF VIRAL INFECTIONS WAINER IRVING W (US) 2023-06-01 US disclosed
US-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2018-05-24 US disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 US disclosed
US-9908841-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-03-06 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-03-23 US disclosed
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-12 US disclosed
US-9522871-B2 Preparation of (R,R)-fenoterol and (R,R)-or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-12-20 US disclosed
US-20160331702-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2016-11-17 US disclosed
US-9492405-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-15 US disclosed
US-20160009636-A9 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-01-14 US disclosed
US-20150157580-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-06-11 US disclosed
US-20140187645-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-07-03 US disclosed
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS SRI INTERNATIONAL 2013-01-03 US disclosed
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE Services, National Institutes of Health 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 HSD17B10 2488/4885ALDH1A1 2747/4885CYP2A6 1173/4885
US-20160009636-A9 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 HSD17B10 2488/4885ALDH1A1 2747/4885CYP2A6 1173/4885
US-20150157580-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 HSD17B10 1442/4885ALDH1A1 3019/4885CYP2A6 665/4885
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A HSD17B10 2525/4885ALDH1A1 2039/4885CYP2A6 1306/4885
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 HSD17B10 2488/4885ALDH1A1 2747/4885CYP2A6 1173/4885
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 HSD17B10 2488/4885ALDH1A1 2747/4885CYP2A6 1173/4885
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 HSD17B10 4667/4885ALDH1A1 1764/4885CYP2A6 4727/4885
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS EPHA2, L1CAM, ERBB2 HSD17B10 3523/4885ALDH1A1 801/4885CYP2A6 226/4885
US-20140187645-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 HSD17B10 2488/4885ALDH1A1 2747/4885CYP2A6 1173/4885
US-20160331702-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 HSD17B10 1442/4885ALDH1A1 3019/4885CYP2A6 665/4885
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A HSD17B10 2661/4885ALDH1A1 2122/4885CYP2A6 1494/4885
US-20230165811-A1 METHOD FOR TREATING SYMPTOMS OF VIRAL INFECTIONS ACE, CCL11, CRH HSD17B10 1406/4885ALDH1A1 3897/4885CYP2A6 1077/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.