SCHEMBL4167975

SCHEMBL4167975

[O]CCNc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CA12 O43570 1/20 0.44
MMP2 P08253 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL4155729 0.88 MEN1 (0.50) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL416787 0.81 MEN1 (0.50) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL1431624 0.79 MEN1 (0.53) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL6235610 0.79 MAPT (0.50) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL5726787 0.79 HPGD (0.49) MEN1KMT2AHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5857094 0.78 MAPT (0.48) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL11119734 0.78 ALDH1A1 (0.68) MEN1KMT2AHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4683451 0.78 HPGD (0.47) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL4159702 0.78 MEN1 (0.50) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL3121096 0.77 MEN1 (0.56) MEN1KMT2AHTTKDM4EALDH1A1

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 MEN1 4879/4885KMT2A 2852/4885HTT 2688/4885

“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.