SCHEMBL12005179

SCHEMBL12005179

Cc1cc(C(c2ccc(-c3ccc(O)cc3)cc2)c2cc(C)c(O)cc2C)c(C)cc1O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ PTGS1 P23219 1/20 0.39

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
SCHEMBL278773 0.95 CYP1A2 (0.45) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL12415075 0.95 KDM4E (0.45) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL12922960 0.95 KDM4E (0.45) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL13416158 0.93 CYP1A2 (0.43) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL278561 0.89 CYP2D6 (0.50) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL12922916 0.88 HSD17B1 (0.41) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL12415073 0.87 HSD17B1 (0.47) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4055460 0.85 ESR1 (0.41) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL18888468 0.85 TP53 (0.40) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL25998110 0.85 LMNA (0.45) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6

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-8816135-B2 Trisphenol compound HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-20120220805-A1 NOVEL TRISPHENOL COMPUND HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-08-30 — — 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-20120220805-A1 NOVEL TRISPHENOL COMPUND NCOR1, NCOR2, NCOA1 CYP3A4 806/4885KDM4E 1565/4885ALDH1A1 987/4885

“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.

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