SCHEMBL5164478

SCHEMBL5164478

CCCCc1ccc(C(C)C)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 7/20 0.62
HTT P42858 3/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX5 P09917 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
CACNA1C Q13936 1/20 0.48
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HIF1A Q16665 1/20 0.43
CNR2 P34972 2/20 0.42
RNASEH1 O60930 1/20 0.41

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
SCHEMBL28248175 0.95 TYR (0.62) TYRHTTMEN1TP53CYP3A4
SCHEMBL31544891 0.93 TYR (0.65) TYRHTTMEN1TP53CYP3A4
SCHEMBL5165516 0.89 TRPA1 (0.52) TYRHTTMEN1TP53CYP3A4
SCHEMBL16736817 0.86 TYR (0.59) TYRHTTMEN1TP53CYP3A4
SCHEMBL5166613 0.86 TYR (0.49) TYRHTTMEN1TP53CYP3A4
SCHEMBL18015839 0.82 TYR (0.44) TYRHTTMEN1TP53CYP3A4
SCHEMBL9501884 0.81 TYR (0.46) TYRHTTMEN1TP53CYP3A4
SCHEMBL27614660 0.81 POLB (0.49) TYRMEN1MAPTKMT2ATRPA1
SCHEMBL27026367 0.81 TRPA1 (0.44) TYRHTTMEN1TP53CYP3A4
SCHEMBL4150291 0.81 TYR (0.50) TYRHTTMEN1TP53CYP3A4

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 27 patents — showing the first 20. 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 claimed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO claimed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US claimed
CN-108570018-A Amide compound and preparation method and application thereof 上海泰禾国际贸易有限公司 2018-09-25 CN disclosed
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-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
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO 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 (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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TYR 3/4885HTT 10/4885MEN1 4009/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TYR 3/4885HTT 10/4885MEN1 4009/4885

“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.