SCHEMBL3775498

SCHEMBL3775498

CCOP(=O)(C/C=C/c1cccc(Cn2cccn2)c1)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
MAPT P10636 3/20 0.37
USP2 O75604 2/20 0.37
GAA P10253 2/20 0.37
KLKB1 P03952 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PNP P00491 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TBXAS1 P24557 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3775504 1.00 HTT (0.44) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL3764321 0.80 ACHE (0.42) GAACYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3764324 0.80 ACHE (0.42) GAACYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3769564 0.78 HDAC3 (0.45) HDAC1HDAC6NPC1ALDH1A1RAB9A
SCHEMBL3769562 0.78 HDAC3 (0.45) HDAC1HDAC6NPC1ALDH1A1RAB9A
SCHEMBL3782468 0.76 HDAC4 (0.38) TSHRALDH1A1SMN1; SMN2NOS1
SCHEMBL3782469 0.76 HDAC4 (0.38) TSHRALDH1A1SMN1; SMN2NOS1
SCHEMBL3764328 0.74 RELA (0.42) HTTMAPTNPC1LMNA
SCHEMBL3771665 0.74 CCNB2 (0.45)
SCHEMBL3771661 0.74 CCNB2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US 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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 HTT 544/4885TSHR 1038/4885KMT2A 2670/4885

“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.