SCHEMBL9971029

SCHEMBL9971029

CCc1cc(OC)c2ccccc2c1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SSTR5 P35346 6/20 0.46
PTGS2 P35354 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.40
MCL1 Q07820 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL3577502 0.85 PKM (0.53) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
Bromide SCHEMBL22778255 0.84 PKM (0.49) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL905388 0.84 PKM (0.49) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL22778208 0.84 PKM (0.49) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
Bromide SCHEMBL29525754 0.82 PKM (0.48) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8563305 0.81 PKM (0.50) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL14655775 0.81 TAAR1 (0.56) PKMTAAR1
SCHEMBL29543480 0.81 TAAR1 (0.56) PKMTAAR1
SCHEMBL30226783 0.79 PKM (0.41) PKMKDM4EALDH1A1SSTR5MEN1
SCHEMBL20970874 0.78 HTR2A (0.56) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4290637-A1 METAL M-AIR BATTERY CELL COMPRISING AN ORGANIC MULTI REDOX MEDIATOR COMPOUND AS SOLUBLE ORGANIC CATALYST TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2023-12-13 EP disclosed
US-20230167081-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 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-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-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
US-20100168245-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 SERVICES 2010-07-01 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-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A PKM 3962/4885KDM4E 4764/4885ALDH1A1 2039/4885
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 PKM 3613/4885KDM4E 4568/4885ALDH1A1 2747/4885
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 PKM 3613/4885KDM4E 4568/4885ALDH1A1 2747/4885
US-20100168245-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 PKM 3613/4885KDM4E 4568/4885ALDH1A1 2747/4885
US-20230167081-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS IKZF1, IKZF3, IKZF2 PKM 1842/4885KDM4E 121/4885ALDH1A1 3240/4885

“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.