SCHEMBL3811414

SCHEMBL3811414

Cc1cc(C2=CCC(c3ccc(O)cc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ESR2 Q92731 12/20 0.37
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARG P13631 1/20 0.30

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
SCHEMBL3811731 0.89 ESR2 (0.43) CYP2C9ESR2CA2CA1ALDH1A1
SCHEMBL3816901 0.83 ALDH1A1 (0.43) CYP2C9ESR2ALDH1A1TYRRARG
SCHEMBL3815507 0.82 ESR2 (0.38) CYP2C9ESR2CA2CA1ALDH1A1
SCHEMBL27849742 0.80 ESR2 (0.39) CYP2C9ESR2
SCHEMBL503351 0.79 ESR2 (0.44) CYP2C19ESR2
SCHEMBL3809156 0.79 ESR2 (0.35) CYP1A2CYP2C9CYP2C19ESR2ALDH1A1
SCHEMBL3815581 0.78 ESR2 (0.39) CYP2C9ESR2ALDH1A1TYR
SCHEMBL2721633 0.77 ESR2 (0.57) CYP2C9ESR2
SCHEMBL3807403 0.76 CA1 (0.42) CYP1A2CYP2C9CYP2C19ESR2CA2
SCHEMBL3824336 0.75 ESR2 (0.49) CYP1A2CYP2C9CYP2C19ESR2CA2

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 4 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
EP-1375461-A1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME Honshu Chemical Industry Co. Ltd. (JP) 2004-01-02 — — EP 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 CYP1A2 23/4885CYP2C9 140/4885CYP2C19 106/4885

“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.

Send feedback