SCHEMBL4149701

SCHEMBL4149701

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3ccccc3F)CCC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
PTGER1 P34995 5/20 0.39
CYP2C9 P11712 2/20 0.38
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.91 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9PTGS2PTGS1
SCHEMBL4149183 0.91 PTGER1 (0.49) MRGPRX4PTGER1CYP2C9PTGS2KDM4E
SCHEMBL4149233 0.91 PTGS2 (0.38) MRGPRX4PTGER1CYP2C9PTGS2PTGS1
SCHEMBL4154000 0.89 PTGER1 (0.42) MRGPRX4PTGER1CYP2C9TSHRL3MBTL1
SCHEMBL13697256 0.89 PTGER1 (0.45) MRGPRX4PTGER1CYP2C9PTGS2PTGS1
SCHEMBL4162650 0.89 PTGER1 (0.41) PTGER1CYP2C9TSHRHSD17B10L3MBTL1
SCHEMBL4150643 0.88 PTGER1 (0.46) PTGER1CYP2C9PTGS2PTGS1THRB
SCHEMBL4163773 0.88 PTGER1 (0.40) MRGPRX4PTGER1CYP2C9THRBALDH1A1
SCHEMBL13697425 0.87 PTGS2 (0.38) PTGER1CYP2C9PTGS2PTGS1THRB
SCHEMBL4157969 0.86 MRGPRX4 (0.42) MRGPRX4PTGER1CYP2C9THRB

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 MRGPRX4 435/4885PTGER1 246/4885CYP2C9 5/4885

“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.