SCHEMBL2717618

SCHEMBL2717618

CCCCc1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
ESR2 Q92731 11/20 0.47
ESR1 P03372 6/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SPHK1 Q9NYA1 2/20 0.41
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
SCHEMBL2720022 0.96 CYP3A4 (0.49) TYRESR2ESR1CYP3A4CYP2C9
SCHEMBL2721546 0.94 TP53 (0.51) TYRESR2ESR1CYP3A4MEN1
SCHEMBL2718706 0.94 TP53 (0.51) TYRESR2ESR1CYP3A4MEN1
SCHEMBL2718788 0.94 TP53 (0.51) TYRESR2ESR1CYP3A4MEN1
SCHEMBL2720383 0.91 ESR2 (0.50) ESR2ESR1CYP3A4CYP2C9ALOX5
SCHEMBL10866678 0.89 SPHK1 (0.48) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL27809930 0.87 ACMSD (0.48) TYR
SCHEMBL2721166 0.84 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL18403459 0.84 ALOX5 (0.45) ESR2ESR1CYP3A4CYP2C9ALOX5
SCHEMBL3816725 0.83 ESR2 (0.43) TYRESR2ESR1CYP3A4CYP2C9

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 6 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

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 TYR 1415/4885ESR2 4/4885ESR1 11/4885
US-20040049086-A1 Diphenol and process for producing the same CYP1A1, AHR, CYP2E1 TYR 377/4885ESR2 940/4885ESR1 489/4885

“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.