SCHEMBL3809897

SCHEMBL3809897

Oc1ccc(C2CCC(c3ccc(O)c(O)c3O)(c3ccc(O)c(O)c3O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 20/20 0.51
▸ ESR1 P03372 8/20 0.49
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL3809431 0.82 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9
SCHEMBL9294372 0.80 ADRA2A (0.33) ESR2ESR1
SCHEMBL29636477 0.77 CYP1A2 (0.54) ESR2ESR1CYP3A4CYP2C9
SCHEMBL3815663 0.76 ESR2 (0.54) ESR2ESR1CYP3A4CYP2C9
SCHEMBL2951103 0.75 ESR2 (0.61) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809870 0.74 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809761 0.74 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3817468 0.74 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9
SCHEMBL3807888 0.73 ESR2 (0.50) ESR2ESR1CYP3A4CYP2C9
SCHEMBL3811845 0.73 ESR2 (0.50) ESR2ESR1CYP3A4CYP2C9

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.

Send feedback