SCHEMBL1832675

SCHEMBL1832675

CC(=O)C=CC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17987416 1.00 PIK3CD (0.34) PIK3CDSMN1; SMN2
SCHEMBL1832003 0.88
SCHEMBL1832001 0.88
SCHEMBL319121 0.84
SCHEMBL319122 0.84
SCHEMBL2773223 0.80 TSHR (0.35) SMN1; SMN2
SCHEMBL533890 0.80 TSHR (0.35) SMN1; SMN2
SCHEMBL10615513 0.79
SCHEMBL31356724 0.79 PTPN2 (0.35)
SCHEMBL10615509 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3038583-A None JP disclosed
CN-113993587-A Thiazole derivatives as protein secretion inhibitors 科智生命科学公司 2022-01-28 CN disclosed
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 US disclosed
EP-3250569-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-12-06 EP disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 WO disclosed
US-8536351-B2 2-aryl-5-heterocyclyl-cyclohexane-1,3,dione compounds and their use as herbicides SYNGENTA CROP PROTECTION LLC (US) 2013-09-17 US disclosed
EP-2134699-B1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-05-11 EP disclosed
US-20100113270-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2134699-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES Syngeta Participations AG (CH) 2009-12-23 EP disclosed
WO-2008110307-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US disclosed
EP-0406839-B1 Process for the preparation of 1-(4-tetrahydropyranyl) or 1-(4-tetrahydrothiopyranyl)-prop-1-en-3-ones BASF AG (DE) 1995-02-01 EP disclosed
EP-0454867-B1 A METHOD FOR THE SYNTHESIS OF $g(a), $g(b)-UNSATURATED KETONES NIPPON SODA CO (JP) 1995-02-01 EP disclosed
US-5221753-A PREPARATION OF 1-(4-TETRAHYDROPYRANYL)- OR 1-(4-TETRAHYDROTHIOPYRANYL)PROP-1-EN-3-ONES BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed
JP-H0338583-A PRODUCTION OF 1-(4-TETRAHYDROPYRANYL)-1-BUTEN-3-ONE NIPPON SODA CO LTD 1991-02-19 JP disclosed
EP-0406839-A2 Process for the preparation of 1-(4-tetrahydropyranyl) or 1-(4-tetrahydrothiopyranyl)-prop-1-en-3-ones BASF Aktiengesellschaft (DE) 1991-01-09 EP 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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 PIK3CD 3366/4885SMN1; SMN2 3722/4885
US-20100113270-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES C3AR1, C5, C9 PIK3CD 3994/4885SMN1; SMN2 4231/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 PIK3CD 3366/4885SMN1; SMN2 3722/4885

“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.