SCHEMBL4154918

SCHEMBL4154918

CCCCC(=O)N(CCC[O])c1cccc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
PAX8 Q06710 3/20 0.64
GPX4 P36969 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LTB4R2 Q9NPC1 8/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
JAK2 O60674 2/20 0.44
HTT P42858 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLQ O75417 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4164807 0.93 ALDH1A1 (0.62) TP53NPC1RAB9APAX8GPX4
SCHEMBL14229121 0.87 TP53 (0.69) TP53NPC1RAB9APAX8GPX4
SCHEMBL4163290 0.87 ALDH1A1 (0.61) TP53NPC1RAB9APAX8GPX4
SCHEMBL4154740 0.85 TP53 (0.58) TP53NPC1RAB9APAX8GPX4
SCHEMBL4168776 0.84 TP53 (0.66) TP53NPC1RAB9APAX8ALDH1A1
SCHEMBL24496384 0.81 ALDH1A1 (0.80) TP53NPC1RAB9APAX8GPX4
SCHEMBL4167183 0.80 TP53 (0.64) TP53NPC1RAB9APAX8GPX4
SCHEMBL4170594 0.79 NPC1 (0.65) TP53NPC1RAB9APAX8GPX4
SCHEMBL4159010 0.79 NPC1 (0.65) TP53NPC1RAB9APAX8GPX4
SCHEMBL4161699 0.79 NPC1 (0.65) TP53NPC1RAB9APAX8GPX4

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 TP53 1939/4885NPC1 3120/4885RAB9A 2235/4885

“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.