SCHEMBL3628633

SCHEMBL3628633

CC(=O)C1CCCC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL20248628 1.00 THRB (0.44) THRBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL15478537 1.00 THRB (0.44) THRBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL13797790 0.86
SCHEMBL3628643 0.86
SCHEMBL4857880 0.86
SCHEMBL18951906 0.83 ESR2 (0.39) THRBCES2CES1TRIM24TRIM33
SCHEMBL7893827 0.82 THRB (0.43) THRBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL19871212 0.81 THRB (0.40) THRBMAPTCYP2C19TRIM24TRIM33
SCHEMBL14104952 0.81 THRB (0.40) THRBMAPTCYP2C19TRIM24TRIM33
SCHEMBL20278647 0.81 THRB (0.40) THRBMAPTCYP2C19TRIM24TRIM33

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
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
CN-100566005-C The lithium secondary battery of nonaqueous electrolyte solution and this solution of use UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed
CN-101091283-A Nonaqueous electrolytic solution and lithium secondary battery using the same UBE INDUSTRIES (JP) 2007-12-19 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 (2 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-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4, HRH4 THRB 1573/4885MAPT 2963/4885CYP3A4 37/4885
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 THRB 367/4885MAPT 4699/4885CYP3A4 95/4885

“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.