SCHEMBL64420

SCHEMBL64420

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
DGAT1 O75907 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 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
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 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
Toluene SCHEMBL17241463 0.84 CYP2C19 (0.40) MEN1KMT2ATSHRCYP2C19HIF1A
SCHEMBL15063824 0.84 DGAT1 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL12873376 0.83 ALDH1A1 (0.32) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL4553890 0.80 DGAT1 (0.37) CYP2D6DGAT1HMGCRCHRM1TBXA2R
SCHEMBL19743162 0.80 MAOA (0.32) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL9877305 0.80 CYP2D6 (0.32) CYP2D6DGAT1HDAC3HDAC1HDAC2
Imidazole SCHEMBL20699762 0.79 ALDH1A1 (0.37)
SCHEMBL2150574 0.78 TDP1 (0.32) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL21169172 0.76 CYP2D6 (0.32) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL4831111 0.74 CYP2D6 (0.37) CYP2D6DGAT1HMGCRCHRM1TBXA2R

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 1606 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225762-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2026-05-27 EP disclosed
WO-2026107227-A1 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2026-05-21 WO disclosed
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO disclosed
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
EP-4743178-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
EP-4743447-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
US-20260132147-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIV (US) 2026-05-14 US disclosed
EP-4739694-A2 MACROCYCLIC COMPOUNDS AND USE AS TYK2 INHIBITORS Blossomhill Therapeutics, Inc. (US) 2026-05-13 EP disclosed
US-12624044-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-05-12 US disclosed
US-12617774-B2 Substituted indole compounds and methods of use thereof NOVARTIS AG (CH) 2026-05-05 US disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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 (6 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-20260132147-A1 BAX INHIBITORS AND USES THEREOF BAX, BCL2, BAK1 CYP2D6 1953/4885DGAT1 2829/4885HMGCR 3252/4885
US-12617774-B2 Substituted indole compounds and methods of use thereof CFB, CFD, TFPI CYP2D6 778/4885DGAT1 4676/4885HMGCR 3481/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR CYP2D6 3785/4885DGAT1 1944/4885HMGCR 3757/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP2D6 1257/4885DGAT1 2161/4885HMGCR 2102/4885
US-12624044-B2 SMARCA degraders and uses thereof SMARCA1, SMARCC1, SMARCA2 CYP2D6 3802/4885DGAT1 4482/4885HMGCR 4513/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 CYP2D6 92/4885DGAT1 1434/4885HMGCR 166/4885

“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.