SCHEMBL4150598

SCHEMBL4150598

CCOC(=O)c1cc(C2=C(c3cc(Cl)cnc3OCc3ccc(F)cc3F)CCC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN9A Q15858 1/20 0.37
HPD P32754 1/20 0.36
GRM7 Q14831 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4162898 0.94 PTGER1 (0.44) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4154379 0.94 PTGER1 (0.47) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4156272 0.94 PTGER1 (0.46) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4168715 0.92 PTGER1 (0.41) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4149186 0.92 PTGER1 (0.41) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4154000 0.91 PTGER1 (0.42) PTGER1CYP2C9CYP3A4CYP2C19NPC1
SCHEMBL4157969 0.90 MRGPRX4 (0.42) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4149960 0.90 PTGER1 (0.42) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4439898 0.90 PTGER1 (0.54) PTGER1CYP2C9SCN9AKDM4ENPC1
SCHEMBL4162608 0.90 PTGER1 (0.44) PTGER1CYP2C9CYP3A4CYP2C19ALDH1A1

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGER1 246/4885CYP2C9 5/4885CYP3A4 271/4885

“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.