SCHEMBL5168458

SCHEMBL5168458

CCCc1cc(O)cc(CC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ LTA4H P09960 1/20 0.48
▸ PTPN1 P18031 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SHBG P04278 1/20 0.39

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
SCHEMBL3362484 0.93 PTGS2 (0.62) PTGS2CYP3A4LTA4HPTPN1PTPN11
SCHEMBL67909 0.87 PTGS2 (0.70) PTGS2CYP3A4LTA4HPTPN1PTPN11
SCHEMBL207718 0.87 PTGS2 (0.48) PTGS2CYP3A4LTA4HGPR84ACHE
SCHEMBL2769207 0.87 CNR1 (0.41) PTGS2CYP3A4CNR1CNR2GPR84
SCHEMBL5166224 0.86 PTGS2 (0.69) PTGS2CYP3A4LTA4HGPR84ESR1
SCHEMBL5164535 0.84 PTGS2 (0.72) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL69634 0.82 ACHE (0.55) PTGS2CYP3A4LTA4HACHEALDH1A1
SCHEMBL16957078 0.81 CNR1 (0.39) PTGS2CYP3A4PTPN1PTPN11CNR1
SCHEMBL16527886 0.81 PTGS2 (0.56) PTGS2CYP3A4LTA4HPTPN1PTPN11
SCHEMBL3959592 0.79 PTGS2 (0.54) PTGS2CYP3A4LTA4HPTPN1PTPN11

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
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO 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 PTGS2 100/4885CYP3A4 351/4885LTA4H 434/4885

“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.

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