SCHEMBL6650772

SCHEMBL6650772

COc1cc(C#N)cc(OC)c1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
ABCB1 P08183 2/20 0.32
ELANE P08246 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
STING1 Q86WV6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CETP P11597 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL6650774 0.94 ABCB1 (0.35) GPR35MTNR1AMTNR1BABCB1NSD2
SCHEMBL26144386 0.83 CETP (0.38) ABCB1MAPTUSP2CETPAR
SCHEMBL23201206 0.78 ABCB1 (0.39) ABCB1MAPTUSP2ALDH1A1CETP
SCHEMBL6791097 0.77 PRSS1 (0.39) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL6790938 0.75 RECQL (0.39) MTNR1AMTNR1BMAPTMEN1GAA
SCHEMBL1009189 0.74 NSD2 (0.45) ABCB1NSD2MEN1KMT2A
SCHEMBL5987415 0.73 ABCB1 (0.34) ABCB1
SCHEMBL1010216 0.73 MEP1A (0.50) ABCB1
SCHEMBL379928 0.71 CACNA1G (0.37) GPR35ABCB1NSD2ALDH1A1CETP
SCHEMBL28847028 0.71 ABCB1 (0.38) ABCB1

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-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 EP disclosed
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 US disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 GPR35 3496/4885MTNR1A 3871/4885MTNR1B 3069/4885

“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.