SCHEMBL658251

SCHEMBL658251

O=C1CC(c2cccc(Cl)c2)CC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LDHA P00338 2/20 0.46
LDHB P07195 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
CTRB1 P17538 1/20 0.45
MDM2 Q00987 1/20 0.45
SLC6A3 Q01959 5/20 0.44
SLC6A2 P23975 3/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL426338 0.83 HTT (0.50) HTTKDM4EALDH1A1NPSR1LDHA
SCHEMBL31075257 0.83 HTT (0.50) HTTKDM4EALDH1A1NPSR1LDHA
SCHEMBL7105128 0.81 CTRB1 (0.39) HTTALDH1A1KMT2AMAPTTP53
SCHEMBL30142574 0.80 ADRA1A (0.44) HTTKDM4EALDH1A1NPSR1LDHA
SCHEMBL28507495 0.80 ADRA1A (0.44) HTTKDM4EALDH1A1NPSR1LDHA
SCHEMBL28515224 0.80 ADRA1A (0.44) HTTKDM4EALDH1A1NPSR1LDHA
SCHEMBL6605801 0.80 MAPT (0.60) HTTKDM4EALDH1A1NPSR1LDHA
SCHEMBL7141446 0.79 SIRT2 (0.50) KDM4EALDH1A1KMT2ACTRB1TSHR
SCHEMBL5858280 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTCTRB1HPGD
SCHEMBL31121815 0.79 CTRB1 (0.53) ALDH1A1MAPTCTRB1HPGD

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 HTT 3033/4885KDM4E 1893/4885ALDH1A1 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.