SCHEMBL712779

SCHEMBL712779

CC(=O)COCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.56
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
GRM5 P41594 2/20 0.49
MAOB P27338 2/20 0.49
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
BRD4 O60885 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL14437516 0.88 MAOB (0.64) ALDH1A1NPC1MAOBRAB9AL3MBTL1
SCHEMBL30405517 0.86 TSHR (0.50) ALDH1A1TSHRNPC1MAPTGRM5
SCHEMBL19599654 0.86 FFAR1 (0.51) ALDH1A1MAOBSMN1; SMN2
SCHEMBL9622282 0.85 NPC1 (0.52) ALDH1A1TSHRNPC1MAPTGRM5
Acetone SCHEMBL28740549 0.85 TSHR (0.71) ALDH1A1TSHRNPC1MAOBRAB9A
Acetic Acid SCHEMBL4466285 0.85 TSHR (0.71) ALDH1A1TSHRNPC1MAOBRAB9A
Acetic Acid SCHEMBL28710458 0.85 TSHR (0.71) ALDH1A1TSHRNPC1MAOBRAB9A
Acetic Acid SCHEMBL28567289 0.84 ALDH1A1 (0.55) ALDH1A1TSHRNPC1MAPTGRM5
SCHEMBL28610357 0.83 ALDH1A1 (0.46) ALDH1A1TSHRNPC1MAPTKMT2A
SCHEMBL231282 0.83 TSHR (0.61) ALDH1A1TSHRNPC1MAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006052310-A2 NICKEL ELECTROPLATING BATH DESIGNED TO REPLACE MONOVALENT COPPER STRIKE SOLUTIONS MACDERMID, INCORPORATED (US) 2006-05-18 WO claimed
US-20060096868-A1 Nickel electroplating bath designed to replace monovalent copper strike solutions MACDERMID, INCORPORATED 2006-05-11 US claimed
EP-4688717-A1 PALLADIUM-CATALYZED CHEMOSELECTIVE MONO-ALPHA-ARYLATION OF O-PROTECTED HYDROXYACETONE Bayer Aktiengesellschaft (DE) 2026-02-11 EP disclosed
US-20250316750-A1 MODIFIED SULFIDE SOLID ELECTROLYTE, PRODUCTION METHOD FOR SAME, ELECTRODE MIXTURE, AND LITHIUM-ION BATTERY IDEMITSU KOSAN CO.,LTD. (JP) 2025-10-09 US disclosed
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 US disclosed
CN-119547157-A Modified sulfide solid electrolyte, manufacturing method thereof, electrode composite material and lithium ion battery 出光兴产株式会社 2025-02-28 CN disclosed
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 EP disclosed
WO-2024200462-A1 PALLADIUM-CATALYZED CHEMOSELECTIVE MONO-α-ARYLATION OF O-PROTECTED HYDROXYACETONE BAYER AKTIENGESELLSCHAFT (DE) 2024-10-03 WO disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 CN disclosed
WO-2024024824-A1 MODIFIED SULFIDE SOLID ELECTROLYTE, PRODUCTION METHOD FOR SAME, ELECTRODE MIXTURE, AND LITHIUM-ION BATTERY 出光興産株式会社 2024-02-01 WO disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
EP-0437290-B1 Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile DSM NV (NL) 1998-05-06 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed
US-5334721-A Reacting a methyl ketone and an alpha,beta-unsaturated nitrile in the presence of a basic catalyst; preparation of a 2-methyl-3,5-dialkylpyridine; cyclization; dehydrogenation STAMICARBON B.V. (NL) 1994-08-02 US disclosed
US-5254712-A Using basic catalyst STAMICARBON B.V. (NL) 1993-10-19 US disclosed
EP-0437290-A1 Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile DSM N.V. (NL) 1991-07-17 EP disclosed
US-4400316-A POLYPEPTIDES TOYO JOZO KABUSHIKI KAISHA (JP) 1983-08-23 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 (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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG ALDH1A1 1242/4885TSHR 3786/4885NPC1 1714/4885
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B ALDH1A1 3972/4885TSHR 2157/4885NPC1 271/4885

“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.