SCHEMBL658020

SCHEMBL658020

O=C1CC(c2ccc(Cl)cc2Cl)CC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
FLT3 P36888 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
TP53 P04637 2/20 0.40
GAA P10253 3/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.39
AGTR1 P30556 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL14580256 0.86 MAP1LC3B (0.41) ERBB2PIM1FLT3MAP4K2CLK4
SCHEMBL658232 0.83 TAAR1 (0.43) ALDH1A1MAPTTHRBTP53ALOX12
SCHEMBL31462794 0.81 HTR2A (0.36) HTR2AHTR2CHTR2BCYP1A2CYP2D6
SCHEMBL5336238 0.80 TP53 (0.62) ERBB2PIM1FLT3MAP4K2CLK4
SCHEMBL31462733 0.79 MAPT (0.43) ALDH1A1MAPTTHRBTP53ALOX12
SCHEMBL14580255 0.78 TP53 (0.65) HTR2AHTR2CHTR2BHTTALDH1A1
SCHEMBL7104758 0.76 ALDH1A1 (0.42) ERBB2HTR2CHTR2BHTTALDH1A1
SCHEMBL658251 0.75 HTT (0.47) HTTALDH1A1MAPTNPSR1MAP1LC3B
SCHEMBL16971184 0.74 MAPK1 (0.47) ALDH1A1MAPTGAATSHRLMNA
SCHEMBL433540 0.74 GAA (0.52) HTR2AHTR2CHTR2BMAPTTP53

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 ERBB2 457/4885PIM1 248/4885FLT3 545/4885

“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.