SCHEMBL121264

SCHEMBL121264

[O]C(=O)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CYP2C19 P33261 1/20 0.45
NAAA Q02083 2/20 0.44
HTT P42858 1/20 0.42
CYP19A1 P11511 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL1463408 1.00 EPHX1 (0.52) EPHX1CA12CA1CA2CA9
SCHEMBL7980872 1.00 EPHX1 (0.52) EPHX1CA12CA1CA2CA9
SCHEMBL1462696 1.00 EPHX1 (0.52) EPHX1CA12CA1CA2CA9
SCHEMBL235213 0.97
Iodomethane SCHEMBL27553883 0.93 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL966449 0.92
SCHEMBL871360 0.85
SCHEMBL9270019 0.81 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL9273496 0.81 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
Bicarbonate SCHEMBL11518297 0.81 EPHX1 (0.56) EPHX1CA12CA1CA2CA9

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 1086 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP claimed
EP-2341047-B1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2014-10-15 EP claimed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US claimed
EP-2277520-A2 A pharmaceutical composition for angiotensin ii-mediated diseases Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP claimed
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US claimed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 EP claimed
EP-1844774-A2 A pharmaceutical composition for angiotensin II-mediated diseases Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP claimed
US-20010004640-A1 Pharmaceutical composition for angiotensin II-mediated diseases TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-06-21 US claimed
EP-0622077-B1 Angiotensin II antagonists as a prophylactic or therapeutic drug for renal diseases TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-05 EP claimed
US-6040324-A TREATING DIABETIC NEPHROPATHY OR GLOMERULONEPHRITIS WITH AN ANGIOTENSIN II ANTAGONISTIC COMPOUND TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2000-03-21 US claimed
US-5958961-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US claimed
EP-0612524-B1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-26 EP claimed
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP claimed
US-5763619-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS OR STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US claimed
EP-0753301-A1 Combination of benzimidazoles having angiotensin-II antagonistic activity with diuretics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-15 EP claimed
EP-0628313-A1 Combination of benzimidazoles having angiotensin-II antagonistic activity with dinretics or calcium antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-14 EP claimed
EP-0622077-A1 Angiotensin II antagonists as a prophylactic or therapeutic drug for renal diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-02 EP claimed

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS EPHX1 509/4885CA12 4000/4885CA1 2290/4885
US-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 EPHX1 982/4885CA12 4360/4885CA1 2353/4885
US-20010004640-A1 Pharmaceutical composition for angiotensin II-mediated diseases AGTR1, REN, AGTR2 EPHX1 1247/4885CA12 1027/4885CA1 470/4885

“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.