SCHEMBL5545442

SCHEMBL5545442

Cc1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
ENPP3 O14638 2/20 0.53
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
PGR P06401 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 3/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MAP4K4 O95819 1/20 0.46
AR P10275 1/20 0.46
PTPN5 P54829 1/20 0.46
FYN P06241 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL23003863 1.00 ACHE (0.55) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL29929976 1.00 ACHE (0.55) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL25948043 1.00 ACHE (0.55) ACHEENPP3HSD17B1HSD17B2PGR
Water SCHEMBL203135 0.97 ACHE (0.52) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL20986956 0.95 TSHR (0.52) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL6561397 0.95 ACHE (0.61) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL18797759 0.92 ACHE (0.65) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL30493472 0.90 ACHE (0.55) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL20689786 0.90 TSHR (0.55) ACHEENPP3HSD17B1HSD17B2PGR
SCHEMBL29057032 0.90 ACHE (0.55) ACHEENPP3HSD17B1HSD17B2PGR

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236028-B2 Production and use of 3,4′ and 4,4′-dimethylbiphenyl isomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-02-01 US claimed
US-11091419-B2 Preparation and purification of biphenyldicarboxylic acids EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-08-17 US claimed
US-20210053890-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers EXXONMOBIL CHEMICAL PATENTS INC. 2021-02-25 US claimed
US-20200361847-A1 Preparation and Purification of Biphenyldicarboxylic Acids EXXONMOBIL CHEMICAL PATENTS INC. 2020-11-19 US claimed
WO-2019143495-A1 PRODUCTION AND USE OF 3,4' AND 4,4'-DIMETHYLBIPHENYL ISOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-07-25 WO claimed
US-20180179141-A1 SELECTIVE AEROBIC OXIDATION OF DIMETHYLBIPHENYLS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-06-28 US claimed
US-9464166-B2 Production and use of 3,4' and 4,4'-dimethylbiphenyl isomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-11 US claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
US-6433236-B1 ISOMERIZATION CATALYST ARTEVA NORTH AMERICA S.A.R.L. (CH) 2002-08-13 US claimed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US claimed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
EP-4273125-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-4273127-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-4273126-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed
US-5144066-A Oxidation of dialkyl-substituted naphthalene NIPPON SHOKUBAI CO., LTD. (JP) 1992-09-01 US disclosed
EP-0464629-A2 Method of producing naphthalenedicarboxylic acids and diaryldicarboxylic acids NIPPON SHOKUBAI CO., LTD. (JP) 1992-01-08 EP disclosed
US-5015797-A Acidic mordenite alkylation catalyst for alkylation of polycyclic aromatic compounds with olefins THE DOW CHEMICAL COMPANY (US) 1991-05-14 US disclosed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US 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 (6 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-20200361847-A1 Preparation and Purification of Biphenyldicarboxylic Acids HPD, HMBS, MCCC2 ACHE 4106/4885ENPP3 2081/4885HSD17B1 429/4885
US-20180179141-A1 SELECTIVE AEROBIC OXIDATION OF DIMETHYLBIPHENYLS CYP1B1, MSMO1, CYP1A1 ACHE 627/4885ENPP3 4116/4885HSD17B1 360/4885
US-20210053890-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers BMP4, DBF4, EIF4B ACHE 3846/4885ENPP3 2924/4885HSD17B1 411/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 ACHE 1478/4885ENPP3 3089/4885HSD17B1 396/4885
US-11091419-B2 Preparation and purification of biphenyldicarboxylic acids HPD, HMBS, MCCC2 ACHE 4106/4885ENPP3 2081/4885HSD17B1 429/4885
US-11236028-B2 Production and use of 3,4′ and 4,4′-dimethylbiphenyl isomers BMP4, DBF4, EIF4B ACHE 3843/4885ENPP3 2812/4885HSD17B1 414/4885

“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.