SCHEMBL5167973

SCHEMBL5167973

CCCc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
ALOX15 P16050 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ATP2A2 P16615 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATP2A3 Q93084 1/20 0.46
ALOX5 P09917 1/20 0.44
TSHR P16473 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
DRD2 P14416 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
ADRA1D P25100 1/20 0.43

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
SCHEMBL21034647 0.90 ALDH1A1 (0.52) ALOX15KDM4EALDH1A1CYP1A2MAPT
SCHEMBL5166701 0.89 NPC1 (0.56) CNR1CNR2ALOX15KDM4EALDH1A1
SCHEMBL21034795 0.86 ALOX15 (0.52) ALOX15KDM4EALDH1A1CYP1A2MAPT
SCHEMBL21034788 0.86 ALOX15 (0.57) ALOX15KDM4EALDH1A1CYP1A2MAPT
SCHEMBL10067474 0.86 PPARA (0.56) ALOX15KDM4EALDH1A1CYP3A4HIF1A
SCHEMBL30342268 0.86 PPARA (0.56) ALOX15KDM4EALDH1A1CYP3A4HIF1A
SCHEMBL21002247 0.85 ALOX15 (0.55) ALOX15KDM4EALDH1A1CYP1A2MAPT
SCHEMBL5036835 0.85 CNR1 (0.60) CNR1CNR2ALOX15KDM4EALDH1A1
SCHEMBL29511377 0.85 CNR1 (0.60) CNR1CNR2ALOX15KDM4EALDH1A1
SCHEMBL2789181 0.84 TRPA1 (0.59) ALOX15KDM4EALDH1A1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US 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
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 (3 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 CNR1 2059/4885CNR2 661/4885ALOX15 10/4885
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR CNR1 171/4885CNR2 89/4885ALOX15 1851/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR CNR1 171/4885CNR2 89/4885ALOX15 1851/4885

“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.