SCHEMBL1424064

SCHEMBL1424064

O=C(NC1CCCCC1)OCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.84
ALDH1A1 P00352 4/20 0.75
GAA P10253 1/20 0.74
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
TSHR P16473 1/20 0.70
EPHX2 P34913 1/20 0.62
RAB9A P51151 1/20 0.60
DPP4 P27487 1/20 0.59
KCNH2 Q12809 1/20 0.59
DPP7 Q9UHL4 1/20 0.59
SGMS2 Q8NHU3 1/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSK P43235 1/20 0.59
HPGD P15428 1/20 0.57

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
SCHEMBL8393719 1.00 EPHX1 (0.84) EPHX1ALDH1A1GAAMEN1KMT2A
Bicarbonate SCHEMBL6203780 0.98 EPHX1 (0.82) EPHX1ALDH1A1GAAMEN1KMT2A
SCHEMBL7198149 0.98 EPHX1 (0.81) EPHX1ALDH1A1GAAMEN1KMT2A
Methyl Alcohol SCHEMBL6780968 0.97 EPHX1 (0.80) EPHX1ALDH1A1GAAMEN1KMT2A
Dimethylamine SCHEMBL8326428 0.96 EPHX1 (0.78) EPHX1ALDH1A1GAAMEN1KMT2A
SCHEMBL14612363 0.96 EPHX1 (0.78) EPHX1ALDH1A1GAAMEN1KMT2A
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.95 EPHX1 (0.76) EPHX1ALDH1A1GAAMEN1KMT2A
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL579215 0.94 EPHX1 (0.74) EPHX1ALDH1A1GAAMEN1KMT2A
SCHEMBL3948456 0.92 ALDH1A1 (0.85) EPHX1ALDH1A1GAAMEN1KMT2A
SCHEMBL3948461 0.92 ALDH1A1 (0.85) EPHX1ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081933-B1 PYRAZOLOPYRIMIDINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-23 EP claimed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
CN-112759594-B Substituted pyrazolopyrimidine TAM inhibitors and uses thereof 山东轩竹医药科技有限公司 2023-06-02 CN disclosed
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 EP disclosed
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
EP-3099680-B1 BISTRIFILATE-BASED FLUOROGENIC PROBES FOR DETECTION OF SUPEROXIDE ANION RADICAL UNIV HONG KONG (CN) 2020-08-12 EP disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
EP-2955181-B1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-10-30 EP disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
CN-1059435-C Process for preparing carbamate and its polymer MONSANTO CO (US) 2000-12-13 CN disclosed
CN-1224001-A Process for preparation of carbonates and polycarbonates MONSANTO CO (US) 1999-07-28 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
CN-1075475-A Process for the preparation of carbamate and carbonate products MONSANTO CO (US) 1993-08-25 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 EPHX1 164/4885ALDH1A1 222/4885GAA 568/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 EPHX1 164/4885ALDH1A1 222/4885GAA 568/4885
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 EPHX1 3298/4885ALDH1A1 4053/4885GAA 1718/4885

“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.