SCHEMBL2720153

SCHEMBL2720153

CC(C)c1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.53
ESR1 P03372 7/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
QDPR P09417 3/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3817531 1.00 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9QDPR
SCHEMBL3815754 1.00 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9QDPR
SCHEMBL2717931 0.86 ESR2 (0.49) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809410 0.85 ESR2 (0.55) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3390002 0.85 ACMSD (0.53) QDPR
SCHEMBL3812949 0.83 ESR2 (0.49) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809453 0.81 ESR2 (0.48) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4215607 0.81 HSP90AA1 (0.36) ESR2QDPR
SCHEMBL4229521 0.80 ESR2 (0.43) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3818813 0.80 ESR2 (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
EP-1375461-B1 DIPHENOL AND PROCESS FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2009-08-05 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 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 (2 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-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 ESR2 4/4885ESR1 11/4885CYP3A4 318/4885
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.