SCHEMBL1033641

SCHEMBL1033641

COc1ccc(CC(N)=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
HTT P42858 4/20 0.61
NPC1 O15118 1/20 0.61
EPHX2 P34913 1/20 0.60
GAA P10253 5/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 3/20 0.59
LDHA P00338 1/20 0.59
CA2 P00918 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ABL1 P00519 1/20 0.57
RIN1 Q13671 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL29602721 1.00 LMNA (0.61) LMNAHTTNPC1EPHX2GAA
SCHEMBL4163008 0.90 MAPK1 (0.63) LMNAHTTNPC1EPHX2GAA
Trifluoroacetic Acid SCHEMBL6424557 0.89 LDHA (0.53) LMNAHTTNPC1EPHX2GAA
SCHEMBL4638474 0.88 MAPK1 (0.56) LMNAHTTNPC1EPHX2GAA
SCHEMBL10701749 0.87 PTGER3 (0.53) LMNAHTTNPC1EPHX2GAA
SCHEMBL30447349 0.87 PTGER3 (0.53) LMNAHTTNPC1EPHX2GAA
SCHEMBL12970788 0.87 ALDH1A1 (0.62) LMNAHTTNPC1EPHX2GAA
SCHEMBL6114177 0.87 GAA (0.62) LMNAHTTNPC1EPHX2GAA
SCHEMBL16480608 0.87 EPHX2 (0.52) LMNAHTTNPC1EPHX2GAA
SCHEMBL17653849 0.87 EPHX2 (0.52) LMNAHTTNPC1EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912454-A Antitumor compound and preparation method and application thereof 承德医学院 2025-05-02 CN claimed
WO-2024213932-A1 DRIVING AXON REGENERATION BY NOVEL ENPP1 INHIBITORS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-10-17 WO claimed
CN-113444020-B Synthesis method of alpha-isopropyl-3,4-dimethoxyphenylacetonitrile 常州大学 2023-03-21 CN claimed
CN-113444020-A Synthesis method of alpha-isopropyl-3, 4-dimethoxyphenylacetonitrile 常州大学 2021-09-28 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-0030009-B1 NEW DERIVATIVES OF THE 9-CIS-6,6'-DIAPO-PSI,PSI-CAROTENEDIOIC ACID, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Simes S.p.A. (IT) 1983-05-11 EP claimed

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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 LMNA 4062/4885HTT 2287/4885NPC1 3891/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 LMNA 3376/4885HTT 1599/4885NPC1 3778/4885

“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.