SCHEMBL4158542

SCHEMBL4158542

CCOC(=O)c1cccc(C2=C(c3cc(C(F)(F)F)c[nH]c3=O)CCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER1 P34995 1/20 0.36
CBL P22681 2/20 0.35
CBLB Q13191 2/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 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
SCHEMBL13696729 0.82 CYP1A2 (0.43) CYP1A2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4924175 0.82 CYP1A2 (0.44) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL13697339 0.79 CYP1A2 (0.39) CYP1A2KDM4EL3MBTL1MAPTMEN1
SCHEMBL13696718 0.77 PTGER1 (0.46) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13696906 0.77 MAOB (0.44) CYP1A2KDM4EGAAL3MBTL1MAPT
SCHEMBL4158553 0.77 PTGER1 (0.39) CYP1A2KDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL4158397 0.77 KDM4E (0.39) KDM4EALDH1A1HPGDGAAL3MBTL1
SCHEMBL4916416 0.76 PTGER1 (0.59) CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4153864 0.76 PTGER1 (0.41) CYP1A2ALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL4154724 0.76 PTGER1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1

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 CYP1A2 72/4885KDM4E 2449/4885ALDH1A1 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.