SCHEMBL1416705

SCHEMBL1416705

NC(=O)OC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.43
NAAA Q02083 2/20 0.42
HTT P42858 1/20 0.41
STS P08842 4/20 0.40
CYP19A1 P11511 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL113152 1.00 EPHX1 (0.50) EPHX1CA1CA2CA12CA9
SCHEMBL1416449 1.00 EPHX1 (0.50) EPHX1CA1CA2CA12CA9
Ammonia Solution, Strong SCHEMBL3387866 0.97 EPHX1 (0.48) EPHX1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL28839888 0.97 EPHX1 (0.48) EPHX1CA1CA2CA12CA9
SCHEMBL112091 0.97
Oxalic Acid SCHEMBL31534669 0.93 EPHX1 (0.45) EPHX1CA1CA2CA12CA9
SCHEMBL10067466 0.92 ATM (0.45) EPHX1CA1CA2CA12CA9
SCHEMBL113287 0.92
Cyclohexylamine SCHEMBL11585176 0.91 EPHX1 (0.44) EPHX1CA1CA2CA12CA9
Methyl Carbamate SCHEMBL30201619 0.91 EPHX1 (0.50) EPHX1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879856-B1 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2011-03-16 EP claimed
CN-101005857-A Polypeptide protracting tags NOVO NORDISK AS (DK) 2007-07-25 CN claimed
WO-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed
US-20230233562-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-07-27 US disclosed
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 US disclosed
US-10927139-B2 Chemically cleavable group TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-02-23 US disclosed
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
US-20200383984-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-12-10 US disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 EP disclosed
CN-101878208-B Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-10-15 CN disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
EP-1879856-B1 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2011-03-16 EP disclosed
CN-101878208-A Quinoxaline-type-piperidine compounds that replaces and uses thereof PURDUE PHARMA LP 2010-11-03 CN disclosed
CN-101595100-A Piperidines as the heterocyclic substituted of ORL-1 part PURDUE PHARMA LP (US) 2009-12-02 CN disclosed
EP-1879856-A2 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-01-23 EP disclosed
CN-101005857-A Polypeptide protracting tags NOVO NORDISK AS (DK) 2007-07-25 CN disclosed
WO-2006117461-A2 ALKYL-, ALKENYL- ET ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-11-09 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 (5 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-20200383984-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE CDK9, IRAK1, CSNK1A1 EPHX1 2321/4885CA1 3125/4885CA2 2457/4885
US-10927139-B2 Chemically cleavable group SQLE, CTRL, ENO1 EPHX1 88/4885CA1 211/4885CA2 3189/4885
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H EPHX1 71/4885CA1 2384/4885CA2 2790/4885
US-20230233562-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE CDK9, IRAK1, CSNK1A1 EPHX1 2296/4885CA1 3217/4885CA2 2522/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 EPHX1 144/4885CA1 640/4885CA2 264/4885

“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.