SCHEMBL4158674

SCHEMBL4158674

CCCC(=O)N(CC[O])c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4158666 0.91 TP53 (0.60) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14229016 0.88 TP53 (0.68) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4055701 0.85 CYP3A4 (0.58) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4157179 0.84 TP53 (0.63) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4163295 0.79 TP53 (0.83) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4150527 0.78 ALDH1A1 (0.59) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28385058 0.77 MEN1 (0.48) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4160257 0.76 LMNA (0.44) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4163289 0.76 TSHR (0.52) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4058268 0.76 POLB (0.59) TP53ALDH1A1MEN1KMT2ACYP3A4

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 1939/4885ALDH1A1 2505/4885MEN1 4879/4885

“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.