SCHEMBL18655367

SCHEMBL18655367

CC(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.51
MAOB P27338 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
BCHE P06276 3/20 0.48
ALOX5 P09917 1/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL11212210 0.85 BCHE (0.58) MAOBBCHEALOX5LMNACYP1A2
SCHEMBL31185919 0.83 RRM1 (0.53) RRM1MAOBKMT2AMEN1BCHE
SCHEMBL11178650 0.81 RRM1 (0.59) RRM1MAOBKMT2AMEN1BCHE
SCHEMBL13846527 0.81 MAOB (0.51) RRM1MAOBKMT2AMEN1BCHE
SCHEMBL13840614 0.81 KMT2A (0.53) RRM1MAOBKMT2AMEN1ALOX5
SCHEMBL3923237 0.81 KMT2A (0.53) RRM1MAOBKMT2AMEN1ALOX5
SCHEMBL11176791 0.80 MAOB (0.50) RRM1MAOBKMT2AMEN1BCHE
SCHEMBL31185833 0.80 RRM1 (0.57) RRM1MAOBKMT2AMEN1BCHE
SCHEMBL903779 0.80 KMT2A (0.54) RRM1MAOBKMT2AMEN1BCHE
SCHEMBL4674930 0.78 MEN1 (0.70) MAOBKMT2AMEN1BCHEALOX5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308591-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) 2019-06-04 US disclosed
US-20190000781-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) 2019-01-03 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-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-20180042867-A1 METHODS OF TREATING CANCER MITCHELL WOODS PHARMACEUTICALS INC (US) 2018-02-15 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

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

For each of this compound's patents that has machine-readable text (5 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 RRM1 395/4885MAOB 1288/4885KMT2A 4127/4885
US-20180042867-A1 METHODS OF TREATING CANCER GPR55, ADRB2, GRK2 RRM1 3003/4885MAOB 1611/4885KMT2A 1391/4885
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 RRM1 395/4885MAOB 1288/4885KMT2A 4127/4885
US-10308591-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 RRM1 389/4885MAOB 1384/4885KMT2A 4171/4885
US-20190000781-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 RRM1 2961/4885MAOB 1440/4885KMT2A 2950/4885

“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.