SCHEMBL13697486

SCHEMBL13697486

CCCCOc1ncccc1C1=C(c2ccc(F)c(C(=O)O)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
FFAR4 Q5NUL3 8/20 0.44
PTPN11 Q06124 2/20 0.43
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 1/20 0.41
NR4A2 P43354 1/20 0.39
DHODH Q02127 1/20 0.39
PTGER1 P34995 3/20 0.39
CYP2C9 P11712 1/20 0.39
PTPN1 P18031 1/20 0.37
BRS3 P32247 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
SCHEMBL13697402 0.90 FFAR4 (0.41) MCL1FFAR4
SCHEMBL13697476 0.85 PTGER1 (0.46) MCL1PTPN11RARARARBRARG
SCHEMBL4154619 0.85 PTGER1 (0.50) MCL1PTGER1CYP2C9
SCHEMBL4156359 0.83 PTGER1 (0.52) PTGER1CYP2C9
SCHEMBL13697213 0.82 PTGER1 (0.58) PTGER1CYP2C9
SCHEMBL4154258 0.81 PTGER1 (0.58) PTGER1CYP2C9
SCHEMBL13696734 0.80 ACMSD (0.41) MCL1DHODHPTGER1CYP2C9
SCHEMBL4155978 0.79 L3MBTL1 (0.46) PTGER1CYP2C9
SCHEMBL4159402 0.78 FFAR4 (0.43) FFAR4DHODH
SCHEMBL13697448 0.76 PTGER1 (0.44) MCL1FFAR4PTPN11RARARARB

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 MCL1 621/4885FFAR4 2668/4885PTPN11 2496/4885

“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.