SCHEMBL3812663

SCHEMBL3812663

CC(C)(C)c1c(O)ccc(C2CCC(c3ccc(O)cc3)CC2)c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 18/20 0.50
▸ ESR1 P03372 7/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2D6 P10635 1/20 0.40
▸ HDAC2 Q92769 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
SCHEMBL28420272 0.80 NUDT1 (0.41) CYP2D6HDAC2
SCHEMBL3809830 0.76 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3807630 0.76 ESR2 (0.55) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3807478 0.74 CYP2C9 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809639 0.74 CYP2C9 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL2718010 0.74 CYP2C9 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3807786 0.74 ESR2 (0.49) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3811806 0.74 ESR2 (0.45) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809909 0.73 ESR2 (0.81) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL1986271 0.73 ESR2 (0.81) ESR2ESR1CYP3A4CYP2C9CYP2D6

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 ESR2 940/4885ESR1 489/4885CYP3A4 44/4885

“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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