SCHEMBL3824336

SCHEMBL3824336

Cc1cc(C2CCC(c3ccc(O)cc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 16/20 0.49
▸ CYP2C9 P11712 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ESR1 P03372 6/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3817117 0.91 ESR2 (0.55) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL3811309 0.85 ESR2 (0.60) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL3816851 0.85 ESR2 (0.60) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL3811856 0.85 ESR2 (0.60) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL19677848 0.80 CA2 (0.54) CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL3807478 0.80 CYP2C9 (0.56) ESR2CYP2C9CYP1A2ESR1CYP3A4
SCHEMBL3809639 0.80 CYP2C9 (0.56) ESR2CYP2C9CYP1A2ESR1CYP3A4
SCHEMBL2718010 0.80 CYP2C9 (0.56) ESR2CYP2C9CYP1A2ESR1CYP3A4
SCHEMBL3811806 0.78 ESR2 (0.45) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL3826625 0.77 ESR2 (0.46) ESR2CYP2C9CYP1A2CYP2C19ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375461-B1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2009-08-05 — — EP disclosed
US-6872858-B2 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 — — US disclosed
US-20040049086-A1 Diphenol and process for producing the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 — — 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-20040049086-A1 Diphenol and process for producing the same CYP1A1, AHR, CYP2E1 ESR2 940/4885CYP2C9 140/4885CYP1A2 23/4885

“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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