SCHEMBL2635943

SCHEMBL2635943

COC(=O)c1cc(OCC(=O)O)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.44
ACLY P53396 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2635722 0.90 LMNA (0.38) TDP1TSHRKDM4EACLYKMT2A
SCHEMBL2635965 0.87 TDP1 (0.51) TDP1TSHRKDM4EKMT2APTGDR2
SCHEMBL2635847 0.85 GAA (0.42) TDP1TSHRKDM4EPOLBMAPT
SCHEMBL2635555 0.85 MAPT (0.52) TDP1KDM4EKMT2ACYP2C19POLB
SCHEMBL2635997 0.84 ACLY (0.44) TDP1TSHRKDM4EACLYKMT2A
SCHEMBL2636251 0.83 RAB9A (0.56) KDM4EKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL2636150 0.83 SMN1; SMN2 (0.41) TDP1TSHRKMT2ACYP2C19POLB
SCHEMBL2635524 0.83 NPC1 (0.49) KDM4EKMT2APOLBSMN1; SMN2MAPT
SCHEMBL2635691 0.82 MAPT (0.47) TDP1KDM4EKMT2ACYP2C19POLB
SCHEMBL2636300 0.81 ALDH1A1 (0.45) TDP1TSHRKMT2ACYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 TDP1 2961/4885TSHR 3302/4885KDM4E 4569/4885

“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.