SCHEMBL3809989

SCHEMBL3809989

CCCCc1cc(O)ccc1C1(c2ccc(O)cc2CCCC)CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.46
TYR P14679 2/20 0.43
ESR1 P03372 7/20 0.41
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3807888 0.87 ESR2 (0.50) ESR2ESR1CYP3A4CYP2C9
SCHEMBL3807808 0.81 ESR2 (0.47) ESR2ESR1CYP3A4CYP2C9
SCHEMBL3816725 0.80 ESR2 (0.43) ESR2TYRESR1CYP3A4MEN1
SCHEMBL3816882 0.79 TYR (0.47) ESR2TYRESR1CYP3A4MEN1
SCHEMBL3815663 0.76 ESR2 (0.54) ESR2ESR1CYP3A4CYP2C9
SCHEMBL9075421 0.76 SPHK1 (0.48) ESR2ESR1CYP3A4TP53
SCHEMBL3809431 0.76 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9
SCHEMBL698084 0.76 ALOX5 (0.53) ESR2TYRESR1CYP3A4MEN1
SCHEMBL3817427 0.76 TP53 (0.44) ESR2TYRESR1CYP3A4MEN1
SCHEMBL3809984 0.74 ESR2 (0.46) 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 940/4885TYR 377/4885ESR1 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.