SCHEMBL4545478

SCHEMBL4545478

CC(C)(C)OC(=O)CC(=O)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
NPC1 O15118 2/20 0.47
CTSS P25774 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
AKT1 P31749 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18601225 0.97 PPARA (0.46) PPARANPC1CTSSL3MBTL1PPARG
SCHEMBL3110938 0.91 L3MBTL1 (0.49) PPARANPC1CTSSL3MBTL1PPARG
SCHEMBL18913341 0.88 PPARA (0.44) PPARANPC1CTSSL3MBTL1PPARG
SCHEMBL9427199 0.85 L3MBTL1 (0.49) PPARACTSSL3MBTL1PPARGCA12
SCHEMBL18906783 0.85 NPC1 (0.42) PPARANPC1CTSSL3MBTL1SYK
SCHEMBL126148 0.84 NPC1 (0.55) NPC1L3MBTL1TSHRALDH1A1MAPT
SCHEMBL16346406 0.83 L3MBTL1 (0.52) PPARACTSSL3MBTL1PPARGCA12
SCHEMBL20534920 0.82 L3MBTL1 (0.51) PPARACTSSL3MBTL1PPARGCA12
SCHEMBL22326308 0.82 L3MBTL1 (0.51) PPARACTSSL3MBTL1PPARGCA12
SCHEMBL26813320 0.82 L3MBTL1 (0.51) PPARACTSSL3MBTL1PPARGCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
EP-2931730-B1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
WO-2019002407-A1 PROCESS FOR THE PREPARATION OF TIPIRACIL HYDROCHLORIDE AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2019-01-03 WO disclosed
US-9714243-B2 4-pyridinonetriazine derivatives as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-25 US disclosed
US-9707234-B2 Spirocyclic hetercycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 WO disclosed
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP disclosed
US-4841042-A Process for the preparation of carbapenem intermediates BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 PPARA 1108/4885NPC1 4560/4885CTSS 3992/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX PPARA 1635/4885NPC1 625/4885CTSS 1065/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 PPARA 2175/4885NPC1 4466/4885CTSS 3116/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 PPARA 957/4885NPC1 701/4885CTSS 4268/4885

“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.