SCHEMBL9770641

SCHEMBL9770641

COc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.63
SLC6A3 Q01959 2/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ABCB11 O95342 1/20 0.61
LMNA P02545 1/20 0.61
ESR1 P03372 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADRA2A P08913 1/20 0.61
CYP2C9 P11712 1/20 0.61
PDE4A P27815 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRK1 P41145 1/20 0.61
STAT6 P42226 1/20 0.61
HIF1A Q16665 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC10A1 Q14973 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL15854869 0.89 SLC6A3 (0.70) AHRSLC6A3TSHRKDM4EABCB11
Dihydroxydiphenyl-Pyridyl Methane SCHEMBL29356385 0.87 SLC6A3 (0.70) AHRSLC6A3TSHRKDM4EABCB11
Dihydroxydiphenyl-Pyridyl Methane SCHEMBL3615825 0.87 SLC6A3 (0.70) AHRSLC6A3TSHRKDM4EABCB11
SCHEMBL14164965 0.84 SLC6A3 (0.78) AHRSLC6A3TSHRKDM4EABCB11
SCHEMBL2021127 0.83 SLC6A3 (0.89) AHRSLC6A3TSHRKDM4EABCB11
SCHEMBL14165003 0.83 KDM4E (0.89) AHRSLC6A3TSHRKDM4EABCB11
SCHEMBL15854856 0.83 AHR (0.60) AHRSLC6A3TSHRKDM4EABCB11
Dihydroxydiphenyl-Pyridyl Methane SCHEMBL2021125 0.81 KDM4E (0.64) AHRSLC6A3TSHRKDM4EABCB11
SCHEMBL29608919 0.81 SLC6A3 (0.61) AHRSLC6A3TSHRKDM4EABCB11
SCHEMBL15854862 0.81 CYP3A4 (0.53) AHRSLC6A3TSHRKDM4EABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 EP claimed
US-20140186872-A1 BISACODYL AND ITS ANALOGUES AS DRUGS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE- CNRS (FR) 2014-07-03 US disclosed
US-20140186872-A1 BISACODYL AND ITS ANALOGUES AS DRUGS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE- CNRS (FR) 2014-07-03 US disclosed
US-20140186872-A1 BISACODYL AND ITS ANALOGUES AS DRUGS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE- CNRS (FR) 2014-07-03 US disclosed
EP-2717875-A2 BISACODYL AND ANALOGUES AS DRUGS FOR TREATING CANCER Université de Strasbourg (FR) 2014-04-16 EP disclosed
WO-2012168885-A2 BISACODYL AND ANALOGUES AS DRUGS FOR TREATING CANCER UNIVERSITÉ DE STRASBOURG (FR) 2012-12-13 WO disclosed
WO-2012168885-A2 BISACODYL AND ANALOGUES AS DRUGS FOR TREATING CANCER UNIVERSITÉ DE STRASBOURG (FR) 2012-12-13 WO disclosed
US-5001115-A Prodrugs of biologically active hydroxyaromatic compounds UNIVERSITY OF FLORIDA (US) 1991-03-19 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 (1 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-20140186872-A1 BISACODYL AND ITS ANALOGUES AS DRUGS FOR USE IN THE TREATMENT OF CANCER CCND1, DEGS1, MCL1 AHR 1541/4885SLC6A3 1219/4885TSHR 2251/4885

“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.