SCHEMBL5164582

SCHEMBL5164582

CCc1cc(O)cc(CC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
GPR84 Q9NQS5 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
PTGS2 P35354 3/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A2 P23975 1/20 0.38
OPRM1 P35372 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL4968027 0.91 GABRA1 (0.48) GABRA1GABRB2GPR84TAAR1PTGS2
SCHEMBL28260120 0.89 GABRA1 (0.40) GABRA1GABRB2PTGS2OPRM1ESR1
SCHEMBL6442439 0.86 GABRA1 (0.48) GABRA1GABRB2GPR84TAAR1PTGS2
SCHEMBL207718 0.83 PTGS2 (0.48) GPR84PTGS2CYP3A4ALOX15ALOX12
SCHEMBL5164118 0.83 PTGS2 (0.48) GABRA1GABRB2GPR84PTGS2CYP3A4
SCHEMBL5165183 0.80 PTGS2 (0.60) GPR84PTGS2CYP3A4SLC6A2ESR1
SCHEMBL16960764 0.79 GABRA1 (0.36) GABRA1GABRB2PTGS2OPRM1ESR1
SCHEMBL24926425 0.78 GABRA1 (0.34) GABRA1GABRB2PTGS2OPRM1ESR1
SCHEMBL22861018 0.78 PNMT (0.38) GABRA1GABRB2SLC6A2OPRM1
SCHEMBL21779670 0.78 GABRA1 (0.34) GABRA1GABRB2PTGS2OPRM1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101817713-B Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2013-06-12 CN disclosed
CN-101817713-A Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2010-09-01 CN disclosed
US-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1633691-B1 METHOD FOR PRODUCING 2,2'-DIHYDROXY-BIPHENYLS BASF AG (DE) 2007-04-11 EP disclosed
EP-1682473-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF Aktiengesellschaft (DE) 2006-07-26 EP disclosed
CN-1802339-A Method for producing 2,2'-dihydroxy-biphenyls BASF AG (DE) 2006-07-12 CN disclosed
EP-1633691-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXY-BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
WO-2005042454-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2004108642-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXY-BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 WO disclosed
WO-2004069779-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 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 (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-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls HAO2, DAO, DDO GABRA1 1782/4885GABRB2 1341/4885GPR84 3463/4885

“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.