SCHEMBL4158716

SCHEMBL4158716

Cc1ccccc1N(CCC[O])C(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPY2R P49146 1/20 0.37
MLYCD O95822 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4160257 0.91 LMNA (0.44) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL4150527 0.80 ALDH1A1 (0.59) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL4173745 0.80 MLYCD (0.48) TP53ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL21227227 0.78 KMT2A (0.48) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL4158666 0.78 TP53 (0.60) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL4157179 0.77 TP53 (0.63) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL4158995 0.75 MLYCD (0.50) ALDH1A1MLYCD
SCHEMBL4152992 0.74 ALDH1A1 (0.50) TP53ALDH1A1MAPTKMT2AMEN1
SCHEMBL30957369 0.72 TP53 (0.61) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL30957368 0.72 TP53 (0.61) TP53ALDH1A1CYP3A4LMNATRPM8

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 2505/4885CYP3A4 1146/4885

“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.