SCHEMBL668254

SCHEMBL668254

CCCCCC(CC(=O)O)n1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.50
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
APAF1 O14727 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADA P00813 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 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
SCHEMBL4064253 0.85 HPGD (0.50) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL21388677 0.85 ASAH1 (0.51) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL21559595 0.85 ASAH1 (0.51) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL7854777 0.85 ASAH1 (0.51) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL23940232 0.84 MEN1 (0.48) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL22810545 0.84 MEN1 (0.48) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL22810522 0.84 MEN1 (0.48) ASAH1HPGDMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL28115258 0.83 ASAH1 (0.46) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL4558105 0.83 ASAH1 (0.48) ASAH1HPGDMEN1KMT2AHSD17B10
SCHEMBL26202221 0.83 ASAH1 (0.49) ASAH1HPGDMEN1KMT2AHSD17B10

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 5 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
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 3919/4885HPGD 4359/4885MEN1 2058/4885

“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.