SCHEMBL163967

SCHEMBL163967

CCOc1cc(COC)cc(C(=O)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GLRA1 P23415 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 5/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.37
PARP10 Q53GL7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL28026974 0.83 GLRA1 (0.41) SMN1; SMN2TP53PKMNFKB1NFKB2
SCHEMBL2567435 0.83 KMT2A (0.46) SMN1; SMN2ALDH1A1GLRA1BRD4CREBBP
SCHEMBL11964291 0.79 NQO1 (0.44) TP53KMT2AMEN1TSHRCYP1A2
SCHEMBL5222576 0.75 MRGPRX4 (0.46) MRGPRX4ALDH1A1GLRA1RAB9AMAPT
SCHEMBL5229647 0.73 GPR35 (0.43) TP53ALDH1A1KMT2AMEN1NPC1
SCHEMBL2558599 0.73 GRM5 (0.39) GLRA1KMT2AMEN1LMNAKDM4E
SCHEMBL2734757 0.72 CYP4F2 (0.43) SMN1; SMN2TP53PKMALDH1A1GLRA1
SCHEMBL25236496 0.70 SMN1; SMN2 (0.53) SMN1; SMN2TP53PKMNFKB1NFKB2
SCHEMBL2133327 0.70 MRGPRX4 (0.49) SMN1; SMN2TP53PKMNFKB1NFKB2
SCHEMBL364241 0.70 HPGD (0.56) SMN1; SMN2TP53ALDH1A1KMT2AMEN1

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 SMN1; SMN2 2105/4885TP53 1654/4885PKM 2066/4885

“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.