SCHEMBL13696751

SCHEMBL13696751

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)cnc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.43
CYP2C9 P11712 1/20 0.43
THRB P10828 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
NFKB1 P19838 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATF1 P18846 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FOS P01100 1/20 0.37

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
SCHEMBL4146588 0.90 MAPT (0.41) PTGER1CYP2C9KDM4EMAPTNPC1
SCHEMBL4147293 0.89 PTGER1 (0.42) PTGER1CYP2C9MAPTBRAFMRGPRX4
SCHEMBL4154455 0.88 CYP2C9 (0.42) PTGER1CYP2C9KDM4EMAPTNPSR1
SCHEMBL4159517 0.84 PTGER1 (0.64) PTGER1CYP2C9MRGPRX4
SCHEMBL4151827 0.84 PTGER1 (0.57) PTGER1CYP2C9THRBMAOBMRGPRX4
SCHEMBL5620094 0.83 CYP2C9 (0.55) PTGER1CYP2C9THRBKDM4EMAPT
SCHEMBL13697443 0.83 PTGER1 (0.48) PTGER1CYP2C9THRBKDM4ECYP11B1
SCHEMBL4155029 0.82 PTGER1 (0.51) PTGER1CYP2C9THRBCYP11B1CYP11B2
SCHEMBL4168385 0.82 PTGER1 (0.47) PTGER1CYP2C9THRBCYP11B1CYP11B2
SCHEMBL4923171 0.82 CYP2C9 (0.53) PTGER1CYP2C9KDM4EMAPTMEN1

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 2 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

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 5/4885THRB 558/4885

“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.