SCHEMBL13697476

SCHEMBL13697476

CCCCOc1ncc(Cl)cc1C1=C(c2ccc(F)c(C(=O)O)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.46
CYP2C9 P11712 3/20 0.46
MCL1 Q07820 1/20 0.45
CNR1 P21554 5/20 0.41
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 2/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13697448 0.90 PTGER1 (0.44) PTGER1CYP2C9MCL1CNR1RARA
SCHEMBL13697417 0.90 CYP2C9 (0.41) PTGER1CYP2C9MCL1CNR1RARA
SCHEMBL13697486 0.85 MCL1 (0.46) PTGER1CYP2C9MCL1RARARARB
SCHEMBL4155622 0.85 PTGER1 (0.52) PTGER1CYP2C9CNR1
SCHEMBL4151740 0.84 PTGER1 (0.49) PTGER1CYP2C9
SCHEMBL4149084 0.84 PTGER1 (0.45) PTGER1CYP2C9DHODH
SCHEMBL4162453 0.84 PTGER1 (0.60) PTGER1CYP2C9
SCHEMBL4154055 0.84 PTGER1 (0.47) PTGER1CYP2C9DHODH
SCHEMBL4147260 0.84 PTGER1 (0.51) PTGER1CYP2C9CNR1
SCHEMBL13697017 0.84 PTGER1 (0.45) PTGER1CYP2C9DHODH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885MCL1 621/4885

“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.