SCHEMBL5168723

SCHEMBL5168723

CCc1ccc(CC(C)C)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.61
GABRB2 P47870 1/20 0.61
ALOX15 P16050 5/20 0.50
ALOX12 P18054 5/20 0.50
PTGS2 P35354 4/20 0.50
ESR1 P03372 3/20 0.50
LMNA P02545 3/20 0.50
CYP2C9 P11712 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TRPA1 O75762 2/20 0.50

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
SCHEMBL2292664 0.88 GABRA1 (0.71) GABRA1GABRB2ALOX15ALOX12PTGS2
SCHEMBL5164462 0.85 GABRA1 (0.58) GABRA1GABRB2ALOX15ALOX12PTGS2
SCHEMBL5164758 0.85 GABRA1 (0.56) GABRA1GABRB2ALOX15ALOX12PTGS2
SCHEMBL5167046 0.85 GABRA1 (0.79) GABRA1GABRB2ALOX15ALOX12PTGS2
SCHEMBL11725833 0.84 GABRA1 (0.56) GABRA1GABRB2ALOX15ALOX12PTGS2
SCHEMBL5168472 0.82 TYR (0.59) GABRA1GABRB2ALOX15ALOX12PTGS2
SCHEMBL593741 0.81 TRPA1 (0.67) ALOX15LMNAKDM4EALDH1A1TP53
SCHEMBL14241219 0.81 GABRA1 (0.47) GABRA1GABRB2PTGS2ESR1LMNA
SCHEMBL921274 0.79 CA1 (0.56) ALOX15ESR1LMNAKDM4EMEN1
SCHEMBL21002056 0.79 BACE1 (0.55) ALOX15TRPA1CNR1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
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 (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-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls HAO2, DAO, DDO GABRA1 1782/4885GABRB2 1341/4885ALOX15 10/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP GABRA1 3586/4885GABRB2 3344/4885ALOX15 446/4885

“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.