SCHEMBL4020778

SCHEMBL4020778

CN(CCc1ccccc1)C(=O)/C=C/C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.57
LTB4R2 Q9NPC1 4/20 0.57
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TAAR1 Q96RJ0 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
MLYCD O95822 1/20 0.48
NPY5R Q15761 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
AOC3 Q16853 1/20 0.46
ABCC1 P33527 1/20 0.46

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
SCHEMBL4020786 1.00 LTB4R (0.57) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL10180177 0.87 LTB4R (0.50) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL4017346 0.84 NPC1 (0.65) KMT2ANPC1RAB9AALDH1A1CA12
SCHEMBL29786680 0.84 LTB4R (0.61) LTB4RLTB4R2NPC1ALDH1A1
SCHEMBL5713225 0.83 LTB4R (0.45) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL30764064 0.83 KMT2A (0.54) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL10147291 0.83 SIGMAR1 (0.47) LTB4RLTB4R2KMT2ATAAR1MLYCD
SCHEMBL10796032 0.81 TAAR1 (0.50) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL1520363 0.78 KMT2A (0.59) LTB4RLTB4R2KMT2ANPC1RAB9A
Maleic Acid SCHEMBL4301221 0.78 ALDH1A1 (0.66) KMT2ATAAR1ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LTB4R 3972/4885LTB4R2 4036/4885KMT2A 3688/4885

“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.