SCHEMBL5604487

SCHEMBL5604487

CC(C)(C)OC(=O)CC(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP2D6 P10635 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
EPHX1 P07099 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL5443383 0.96 FAAH (0.38) FAAHTDP1DGAT1CYP2D6EPHX2
SCHEMBL2648388 0.85 DGAT1 (0.42) TDP1DGAT1CYP2D6EPHX2GAA
SCHEMBL10379839 0.83 DGAT1 (0.34) FAAHTDP1DGAT1CYP2D6EPHX2
SCHEMBL5691337 0.82 GAA (0.42) TDP1DGAT1CYP2D6EPHX2GAA
SCHEMBL140252 0.80
SCHEMBL241533 0.80 DGAT1 (0.46) TDP1DGAT1CYP2D6GAAMEN1
SCHEMBL28792442 0.79 EPHX2 (0.35) TDP1DGAT1CYP2D6EPHX2GAA
SCHEMBL182237 0.79 TDP1 (0.41) TDP1DGAT1CYP2D6EPHX2GAA
SCHEMBL10833684 0.79 TDP1 (0.38) TDP1DGAT1CYP2D6EPHX2GAA
SCHEMBL12539245 0.78 TDP1 (0.36) FAAHTDP1DGAT1CYP2D6EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959495-A Process for the preparation of intermediates used to produce aminothiazoloximino cephalosporins AMERICAN CYANAMID COMPANY (US) 1990-09-25 US claimed
EP-0208662-B1 PROCESS FOR MANUFACTURING R(-)-NORCARNITINE TERT-BUTYL ESTER Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-12-14 EP claimed
JP-61010569-A None JP disclosed
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
WO-2024190386-A1 RADIATION-SENSITIVE COMPOSITION, RESIST PATTERN FORMATION METHOD, POLYMER, AND COMPOUND JSR株式会社 2024-09-19 WO disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
CN-113512008-A Continuous refining method of anhydrous Mica acid 上海应用技术大学 2021-10-19 CN disclosed
CN-109574830-B Rosuvastatin calcium intermediate, and preparation method and application thereof 浙江宏元药业股份有限公司 2021-04-13 CN disclosed
US-10961515-B1 Carbonyl reductase variant and its use in preparation of (R)-4-chloro-3-hydroxybutyrate FUDAN UNIVERSITY (CN) 2021-03-30 US disclosed
EP-0208662-B1 PROCESS FOR MANUFACTURING R(-)-NORCARNITINE TERT-BUTYL ESTER Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-12-14 EP disclosed
EP-0257275-A2 Cephalosporin and penicillin derivatives AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP disclosed
US-4710468-A FROM OPTICALLY ACTIVE SUBSTITUTED HYDROXYBUTYRIC ACID DERIVATIVES WITH OXIDOREDUCTASE SIGMA-TAU INDUSTRIE PHARMACEUTICHE RIUNITE S.P.A. (IT) 1987-12-01 US disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 WO disclosed
EP-0208662-A1 Process for manufacturing r(-)-norcarnitine tert-butyl ester Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1987-01-14 EP disclosed
EP-0208662-A1 Process for manufacturing r(-)-norcarnitine tert-butyl ester Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1987-01-14 EP disclosed
US-4616084-A Process for the preparation of 7-acylamino-3-hydroxy-cephem-4-carboxylic acids and 7-acylamino-3-hydroxy-1-dethia-1-oxacephem-4-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1986-10-07 US disclosed
JP-S6110569-A PREPARATION OF 2-(2-AMINOTHIAZOLE)-ACETIC ACID DERIVATIVE SANKEI YAKUHIN KK 1986-01-18 JP 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 (1 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-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX FAAH 3841/4885TDP1 2093/4885DGAT1 2229/4885

“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.