SCHEMBL4153740

SCHEMBL4153740

O=c1[nH]cc(C(F)(F)F)cc1I

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.38
DAO P14920 6/20 0.37
ACLY P53396 1/20 0.35
PARP1 P09874 1/20 0.35
DPYD Q12882 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX12 P18054 1/20 0.32
C1R P00736 1/20 0.31

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
SCHEMBL17002554 0.77 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL17362093 0.77 ACLY (0.42) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL7909779 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL1000301 0.75 DAO (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL574325 0.75 TTK (0.44) PKMMEN1KMT2AALDH1A1HPGD
SCHEMBL6986501 0.75 DAO (0.40) PKMMEN1KMT2AALDH1A1HPGD
SCHEMBL28579313 0.73 LMNA (0.33) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL25651305 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL9730796 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL13893571 0.71

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 3 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
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO 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 PKM 2159/4885MEN1 562/4885KMT2A 3463/4885

“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.