SCHEMBL4152992

SCHEMBL4152992

Cc1cccc(N(CCC[O])C(=O)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PAX8 Q06710 2/20 0.50
GPX4 P36969 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 2/20 0.43
JAK2 O60674 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
HPGD P15428 3/20 0.41
POLQ O75417 3/20 0.41
ATM Q13315 1/20 0.41
MLYCD O95822 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4164220 0.91 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL4173745 0.83 MLYCD (0.48) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL4422100 0.82 POLQ (0.53) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL4158995 0.82 MLYCD (0.50) ALDH1A1HPGDMLYCD
SCHEMBL4163290 0.81 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL4164807 0.79 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL4154918 0.78 TP53 (0.64) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL14229492 0.78 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL14201125 0.76 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL4163047 0.74 CETP (0.40) ALDH1A1RAB9ANPC1PAX8GPX4

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 ALDH1A1 2505/4885RAB9A 2235/4885NPC1 3120/4885

“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.