SCHEMBL5168472

SCHEMBL5168472

CCCCc1ccc(CC(C)C)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.59
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
ALOX15 P16050 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 3/20 0.51
CYP3A4 P08684 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX5 P09917 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 3/20 0.44
ALOX12 P18054 3/20 0.44
MAPK1 P28482 3/20 0.44
ESR1 P03372 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 2/20 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
SCHEMBL5164462 0.90 GABRA1 (0.58) TYRGABRA1GABRB2ALOX15MEN1
SCHEMBL4798703 0.87 GABRA1 (0.69) TYRGABRA1GABRB2ALOX15MEN1
SCHEMBL5164594 0.87 HTT (0.53) TYRGABRA1GABRB2ALOX15MEN1
SCHEMBL83606 0.84 TYR (0.69) TYRALOX15MEN1TP53CYP3A4
SCHEMBL5168723 0.82 GABRA1 (0.61) GABRA1GABRB2ALOX15MEN1TP53
SCHEMBL5167885 0.82 TYR (0.67) TYRALOX15MEN1TP53CYP3A4
SCHEMBL5167068 0.82 TYR (0.67) TYRALOX15MEN1TP53CYP3A4
SCHEMBL2292664 0.82 GABRA1 (0.71) GABRA1GABRB2ALOX15MEN1TP53
SCHEMBL4625228 0.81 TYR (0.65) TYRALOX15MEN1TP53CYP3A4
SCHEMBL11248095 0.79 TYR (0.69) TYRALOX15MEN1TP53CYP3A4

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 12 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
CN-1262586-C Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2006-07-05 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
CN-1405217-A Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2003-03-26 CN 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 TYR 581/4885GABRA1 1782/4885GABRB2 1341/4885

“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.