SCHEMBL4163773

SCHEMBL4163773

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3ccc(F)cc3Cl)CCC2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.40
CYP2C9 P11712 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
SCN9A Q15858 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4162608 0.93 PTGER1 (0.44) PTGER1CYP2C9MRGPRX4THRBALDH1A1
SCHEMBL4162898 0.91 PTGER1 (0.44) PTGER1CYP2C9ALDH1A1POLBCYP3A4
SCHEMBL4159296 0.90 PTGER1 (0.44) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4164430 0.89 PTGER1 (0.42) PTGER1CYP2C9ALDH1A1CYP3A4CYP2C19
SCHEMBL4150643 0.88 PTGER1 (0.46) PTGER1CYP2C9THRBALDH1A1GAA
SCHEMBL4149701 0.88 MRGPRX4 (0.39) PTGER1CYP2C9MRGPRX4THRBALDH1A1
SCHEMBL4157969 0.86 MRGPRX4 (0.42) PTGER1CYP2C9MRGPRX4THRBCYP3A4
SCHEMBL4150598 0.86 PTGER1 (0.46) PTGER1CYP2C9ALDH1A1CYP3A4CYP2C19
SCHEMBL4149183 0.85 PTGER1 (0.49) PTGER1CYP2C9MRGPRX4MEN1KMT2A
SCHEMBL4149233 0.85 PTGS2 (0.38) PTGER1CYP2C9MRGPRX4THRBALDH1A1

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 5/4885MRGPRX4 435/4885

“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.