SCHEMBL7603587

SCHEMBL7603587

COc1ccc(C(=O)c2ccc(O)cc2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL11577171 0.91 CYP1A2 (0.70) HTTSMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL11805654 0.88 CYP1A2 (0.61) HTTSMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL31607627 0.86 ALDH1A1 (0.75) HTTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL10428893 0.86 ALDH1A1 (0.75) HTTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL9360017 0.86 CYP1A2 (0.69) HTTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL9914237 0.86 CYP1A2 (0.63) HTTSMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL14700550 0.85 TSHR (0.58) HTTSMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL31164288 0.85 ALDH1A1 (0.62) HTTSMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL11814018 0.83 CYP1A2 (0.59) HTTCYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL11813707 0.82 ACHE (0.56) HTTSMN1; SMN2CYP3A4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 US disclosed
WO-2002066415-A2 NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2002-08-29 WO 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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG HTT 4860/4885SMN1; SMN2 4570/4885CYP3A4 1527/4885

“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.