SCHEMBL4021544

SCHEMBL4021544

O=C(O)C=CC(=O)N1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43

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
SCHEMBL6651491 1.00 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL4021537 1.00 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL12172750 0.98 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL1832185 0.90 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1832187 0.90 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22622465 0.87 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL21851237 0.79 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL17672298 0.79 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Maleic Acid SCHEMBL29790549 0.79 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2TSHRTP53
SCHEMBL21872351 0.78 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591659-A Tripterine acrylamide derivative and preparation method and application thereof 中国药科大学 2025-03-11 CN disclosed
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 US disclosed
EP-1091929-B1 SECONDARY ASPARTIC ACID AMIDE ESTERS MINNESOTA MINING & MFG (US) 2004-06-02 EP disclosed
US-6573398-B2 Such as (Z)-4-(tert-butylamino)-4-oxo-2-butenoic acid; protective coatings for use as two-part liquid pavement markings 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US disclosed
US-20030004367-A1 Secondary aspartic acid amide esters 3M INNOVATIVE PROPERTIES COMPANY 2003-01-02 US disclosed
US-6469199-B1 USED IN COATINGS, E.G. POLYUREA COATINGS AND IN A LIQUID PAVEMENT MARKING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2002-10-22 US disclosed
EP-1091929-A2 SECONDARY ASPARTIC ACID AMIDE ESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-04-18 EP disclosed
WO-2000001665-A2 SECONDARY ASPARTIC ACID AMIDE ESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-13 WO disclosed
US-6005062-A AND A POLYISOCYANATE COMBINED TO FORM A POLYUREA; TWO PART LIQUID PAVENT MARKING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-12-21 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-20030004367-A1 Secondary aspartic acid amide esters PNISR, GLUL, NAAA ALDH1A1 1489/4885GAA 1277/4885KDM4E 4503/4885
US-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP ALDH1A1 2687/4885GAA 347/4885KDM4E 2157/4885

“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.