SCHEMBL669246

SCHEMBL669246

CCCCCC=C(C(=O)O)n1cnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.39
STAT6 P42226 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL669244 1.00 ASAH1 (0.56) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL669245 0.75 ASAH1 (0.56) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL13092515 0.75 ASAH1 (0.66) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL13092517 0.75 ASAH1 (0.66) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL29145133 0.73 ASAH1 (0.60) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL29795663 0.73 ASAH1 (0.97) ASAH1ALDH1A1NPC1MAPTHPGD
SCHEMBL30723161 0.73 ASAH1 (0.60) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL29145137 0.73 ASAH1 (0.60) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL29145161 0.72 ASAH1 (0.62) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL8744445 0.72 ASAH1 (0.62) ASAH1SMN1; SMN2ALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB ASAH1 3919/4885SMN1; SMN2 4389/4885ALDH1A1 4784/4885

“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.