SCHEMBL4158397

SCHEMBL4158397

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)c[nH]c3=O)CCC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RET P07949 2/20 0.36
THRB P10828 1/20 0.35
RAF1 P04049 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGER1 P34995 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
SCHEMBL4153413 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL4150583 0.81 THRB (0.39) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL4155673 0.79 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL13697425 0.78 PTGS2 (0.38) KDM4EL3MBTL1ALDH1A1GAAMAPT
SCHEMBL5621090 0.77 PTGER1 (0.63) MRGPRX4PTGER1
SCHEMBL4158542 0.77 CYP1A2 (0.42) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL4150643 0.76 PTGER1 (0.46) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL4149183 0.76 PTGER1 (0.49) KDM4EHPGDMAPTMRGPRX4PTGER1
SCHEMBL4149233 0.76 PTGS2 (0.38) KDM4EL3MBTL1ALDH1A1GAAMAPT
SCHEMBL4149701 0.75 MRGPRX4 (0.39) KDM4EL3MBTL1ALDH1A1GAAHPGD

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 KDM4E 2449/4885L3MBTL1 2055/4885ALDH1A1 1534/4885

“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.