SCHEMBL3813530

SCHEMBL3813530

Cc1cc(O)c(C(C)C)cc1C1=CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 12/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL3807529 0.87 ESR2 (0.40) ESR2CYP3A4CYP2C9ESR1CYP1A2
SCHEMBL3807425 0.82 ESR2 (0.40) ESR2CYP3A4CYP2C9ESR1
SCHEMBL3809156 0.82 ESR2 (0.35) ESR2LMNACYP3A4CYP2C9CYP1A2
SCHEMBL2717182 0.82 ESR2 (0.41) ESR2CYP3A4CYP2C9ESR1
SCHEMBL3811773 0.80 ESR2 (0.43) ESR2CYP3A4CYP2C9ESR1
SCHEMBL3815507 0.78 ESR2 (0.38) ESR2CYP3A4CYP2C9ESR1
SCHEMBL3807403 0.77 CA1 (0.42) ESR2HSP90AA1HSP90AB1CYP3A4CYP2C9
SCHEMBL3808005 0.76 ESR2 (0.42) ESR2CYP3A4CYP2C9ESR1KMT2A
SCHEMBL3809834 0.76 ESR2 (0.39) ESR2CYP3A4CYP2C9ESR1
SCHEMBL3818232 0.75 ESR2 (0.37) ESR2CYP3A4CYP2C9ESR1

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 940/4885LMNA 1881/4885HSP90AA1 4049/4885

“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