SCHEMBL5166701

SCHEMBL5166701

CCCCc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
MAPK1 P28482 2/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PPARA Q07869 1/20 0.47
ALOX15 P16050 3/20 0.47
IGF1R P08069 2/20 0.47
IAPP P10997 1/20 0.45
KAT8 Q9H7Z6 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
ATP2A2 P16615 1/20 0.43
ATP2A3 Q93084 1/20 0.43
TP53 P04637 2/20 0.43
SKP2 Q13309 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
SCHEMBL30342268 0.93 PPARA (0.56) PPARAALOX15IGF1RKAT8KDM4E
SCHEMBL10067474 0.93 PPARA (0.56) PPARAALOX15IGF1RKAT8KDM4E
SCHEMBL21034795 0.91 ALOX15 (0.52) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL21034788 0.91 ALOX15 (0.57) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL5167973 0.89 CNR1 (0.55) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL21002247 0.89 ALOX15 (0.55) PPARAALOX15IGF1RKAT8SMN1; SMN2
SCHEMBL21034647 0.87 ALDH1A1 (0.52) MAPK1HPGDHTTNPSR1ALOX15
SCHEMBL29612324 0.86 HTT (0.52) NPC1MAPK1RAB9AHPGDHTT
SCHEMBL673963 0.86 HTT (0.52) NPC1MAPK1RAB9AHPGDHTT
Methane SCHEMBL27924017 0.84 HTT (0.50) NPC1MAPK1RAB9AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 NPC1 3735/4885MAPK1 3526/4885RAB9A 3959/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR NPC1 2093/4885MAPK1 3310/4885RAB9A 1490/4885

“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.