SCHEMBL3810477

SCHEMBL3810477

COc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.71
ESR1 P03372 4/20 0.71
MGAM O43451 3/20 0.56
GAA P10253 3/20 0.56
SI P14410 3/20 0.56
MGAM2 Q2M2H8 3/20 0.56
MAOB P27338 1/20 0.55
ABCB1 P08183 4/20 0.52
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
GUSB P08236 1/20 0.51
ABCC1 P33527 2/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
ERN1 O75460 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47

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
SCHEMBL9446140 0.98 ESR2 (0.73) ESR2ESR1MGAMGAASI
SCHEMBL18308821 0.89 ESR2 (0.67) ESR2ESR1MGAMGAASI
SCHEMBL22530493 0.87 ESR1 (0.65) ESR2ESR1MGAMGAASI
SCHEMBL29392744 0.87 ESR1 (0.65) ESR2ESR1MGAMGAASI
SCHEMBL4392380 0.86 ESR2 (0.64) ESR2ESR1MGAMGAASI
SCHEMBL15932980 0.85 MGAM (0.67) ESR2ESR1MGAMGAASI
SCHEMBL9623648 0.85 MAOB (0.67) ESR2ESR1MGAMGAASI
SCHEMBL7218648 0.85 CYP3A4 (0.62) ESR2ESR1MGAMGAASI
SCHEMBL18308823 0.85 ESR2 (0.57) ESR2ESR1MGAMGAASI
SCHEMBL11689848 0.83 ESR2 (0.56) ESR2ESR1MGAMGAASI

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-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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 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
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 ESR2 734/4885ESR1 1849/4885MGAM 4314/4885
US-20040049086-A1 Diphenol and process for producing the same CYP1A1, AHR, CYP2E1 ESR2 940/4885ESR1 489/4885MGAM 3919/4885

“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.