SCHEMBL6702545

SCHEMBL6702545

COc1cc(C)cc(OC)c1-c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 10/20 0.61
GAA P10253 10/20 0.61
SI P14410 10/20 0.61
MGAM2 Q2M2H8 10/20 0.61
CNR2 P34972 1/20 0.47
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
ESR2 Q92731 2/20 0.47
SENP1 Q9P0U3 1/20 0.47
ESR1 P03372 1/20 0.45
MAOB P27338 1/20 0.45
ACHE P22303 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ERN1 O75460 1/20 0.44

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
SCHEMBL11498857 0.88 MGAM (0.65) MGAMGAASIMGAM2ABL1
Water SCHEMBL11498856 0.86 MGAM (0.62) MGAMGAASIMGAM2ABL1
SCHEMBL12549065 0.84 ABL1 (0.62) MGAMGAASIMGAM2ABL1
SCHEMBL6058633 0.79 MGAM (0.60) MGAMGAASIMGAM2
SCHEMBL28094886 0.79 BACE1 (0.55) MGAMGAASIMGAM2ABL1
SCHEMBL17930919 0.79 CNR2 (0.50) CNR2ACHEPDE4APDE4BPDE4C
Ether SCHEMBL10542851 0.78 MGAM (0.54) MGAMGAASIMGAM2ESR2
SCHEMBL18308823 0.77 ESR2 (0.57) MGAMGAASIMGAM2ABL1
SCHEMBL17754363 0.76 MGAM (0.81) MGAMGAASIMGAM2
SCHEMBL10542854 0.74 MGAM (0.50) MGAMGAASIMGAM2ESR2

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
CN-109896919-A A kind of method that photocatalysis one-step method prepares Bibenzyl compound 中国科学院大连化学物理研究所 2019-06-18 CN disclosed
WO-2016001224-A1 NOVEL ACTIVATORS OF AMP-ACTIVATED PROTEIN KINASES DEBIOPHARM INTERNATIONAL S.A. (CH) 2016-01-07 WO disclosed
US-6794415-B2 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. (FR) 2004-09-21 US disclosed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US disclosed
US-6563008-B2 Treatment of disorders linked to hypofolliculinemia and of certain estrogen-dependent pathologies such as prostatic adenomas or carcinomas, and of benign tumours of the breast AVENTIS PHARMA S.A. (FR) 2003-05-13 US disclosed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US disclosed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 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-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents ESR2, ESR1, CYP19A1 MGAM 4441/4885GAA 3888/4885SI 3894/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 MGAM 4752/4885GAA 3526/4885SI 3679/4885

“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.