SCHEMBL1076594

SCHEMBL1076594

CC(=O)NC(C)c1ccc(C(=O)O)c(C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GRM1 Q13255 1/20 0.38
ACACB O00763 9/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ACACA Q13085 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1076595 1.00 L3MBTL1 (0.39) L3MBTL1GRM1ACACBKDM4EHSD17B10
SCHEMBL1076814 0.82 L3MBTL1 (0.39) L3MBTL1GRM1ACACBACACAACE2
SCHEMBL1076815 0.82 L3MBTL1 (0.39) L3MBTL1GRM1ACACBACACAACE2
SCHEMBL2502182 0.79 GRM1 (0.42) GRM1KDM4ERAB9AACE2ALDH1A1
SCHEMBL20768594 0.75 GRM1 (0.43) GRM1KDM4ERAB9ANPC1ACE2
SCHEMBL23113901 0.72 HTT (0.41) L3MBTL1ALDH1A1
SCHEMBL2496346 0.71 CYP1A2 (0.41) KDM4EHSD17B10ALDH1A1
SCHEMBL6558052 0.71 KMT2A (0.50) L3MBTL1GRM1ACACBACE2ALDH1A1
SCHEMBL6558054 0.71 KMT2A (0.50) L3MBTL1GRM1ACACBACE2ALDH1A1
SCHEMBL30202757 0.70 GPR139 (0.47) L3MBTL1ACACBRAB9ANPC1

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-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 L3MBTL1 4508/4885GRM1 1136/4885ACACB 870/4885

“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.