SCHEMBL465064

SCHEMBL465064

CCCc1ccc(C=O)c(OCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
BACE1 P56817 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
ERN1 O75460 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL1446176 0.91 PPARG (0.41) ALDH1A1L3MBTL1BACE1TUBB1LMNA
SCHEMBL4034250 0.88 TUBB1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL1390770 0.85 ERN1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2MAPK1TUBB1
SCHEMBL1391014 0.85 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2MAPK1MEN1
SCHEMBL1391164 0.85 ERN1 (0.44) ALDH1A1L3MBTL1TUBB1ERN1HPGD
SCHEMBL465084 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1391025 0.81 PIK3CD (0.36) ALDH1A1L3MBTL1BACE1MEN1KMT2A
SCHEMBL4567003 0.79 FFAR4 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31556817 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2BACE1MEN1
SCHEMBL1391109 0.79 TDP1 (0.57) ALDH1A1L3MBTL1POLBKMT2AERN1

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
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-1826197-B1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-18 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 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 (3 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 ALDH1A1 601/4885L3MBTL1 1818/4885SMN1; SMN2 1305/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 ALDH1A1 601/4885L3MBTL1 1818/4885SMN1; SMN2 1305/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 ALDH1A1 601/4885L3MBTL1 1818/4885SMN1; SMN2 1305/4885

“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.