SCHEMBL4017350

SCHEMBL4017350

O=C(O)C=CC(=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
TAAR1 Q96RJ0 5/20 1.00
MMP1 P03956 3/20 0.71
MMP2 P08253 3/20 0.71
MMP9 P14780 3/20 0.71
POLB P06746 1/20 0.71
RECQL P46063 1/20 0.71
LMNA P02545 2/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
MAPT P10636 1/20 0.61
NLRP3 Q96P20 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL6891812 1.00 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL4017341 1.00 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL11124846 0.90 TAAR1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL30764053 0.88 TAAR1 (0.91) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL15431342 0.85 TAAR1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL15494538 0.85 TAAR1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL23252471 0.84 ALDH1A1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL10711293 0.84 ALDH1A1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL10843414 0.84 ALDH1A1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL28891887 0.83 MMP1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459418-B2 Quadripolymer based on host-guest interaction and preparation process thereof SOUTHWEST PETROLEUM UNIVERSITY (CN) 2022-10-04 US claimed
US-20200332043-A1 A QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION PROCESS THEREOF SOUTHWEST PETROLEUM UNIVERSITY (CN) 2020-10-22 US claimed
US-11459418-B2 Quadripolymer based on host-guest interaction and preparation process thereof SOUTHWEST PETROLEUM UNIVERSITY (CN) 2022-10-04 US disclosed
US-11459418-B2 Quadripolymer based on host-guest interaction and preparation process thereof SOUTHWEST PETROLEUM UNIVERSITY (CN) 2022-10-04 US disclosed
US-20200332043-A1 A QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION PROCESS THEREOF SOUTHWEST PETROLEUM UNIVERSITY (CN) 2020-10-22 US disclosed
US-20200332043-A1 A QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION PROCESS THEREOF SOUTHWEST PETROLEUM UNIVERSITY (CN) 2020-10-22 US 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
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 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 (1 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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP ALDH1A1 2687/4885TAAR1 4882/4885MMP1 218/4885

“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.