SCHEMBL655874

SCHEMBL655874

CCOC(=O)CC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.41
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL1246313 0.89 L3MBTL1 (0.52) POLBCYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL3670529 0.87 L3MBTL1 (0.48) POLBCYP2C9CYP2C19KMT2AL3MBTL1
Butane SCHEMBL5272274 0.86 L3MBTL1 (0.50) POLBCYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL9911026 0.85 TSHR (0.51) POLBCYP2C19KMT2AMEN1CYP2D6
SCHEMBL10908208 0.85 ALDH1A1 (0.51) POLBCYP2C9CYP2C19KMT2AL3MBTL1
SCHEMBL31478197 0.81 LMNA (0.50) POLBCYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL1504155 0.81 ALDH1A1 (0.44) POLBKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL30935351 0.81 ALDH1A1 (0.44) POLBKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL13572974 0.81 FFAR1 (0.48) POLBKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL13572925 0.81 FFAR1 (0.48) POLBKMT2AL3MBTL1MEN1ALDH1A1

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 POLB 4008/4885CYP2C9 4696/4885CYP2C19 4532/4885

“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.