SCHEMBL16284697

SCHEMBL16284697

CCC(=O)N(CCl)c1c(C)cccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TP53 P04637 4/20 0.49
CYP3A4 P08684 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
OPRM1 P35372 4/20 0.39
RORC P51449 1/20 0.38
NR1I2 O75469 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 1/20 0.36
SCN4A P35499 1/20 0.36
MC3R P41968 1/20 0.36
HTR3A P46098 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN3A Q9NY46 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 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
SCHEMBL9614333 0.87 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4TDP1RORC
SCHEMBL11122498 0.84 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TDP1RORC
SCHEMBL11067755 0.83 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4TDP1RORC
SCHEMBL11066840 0.81 TP53 (0.46) ALDH1A1TP53CYP3A4TDP1OPRM1
SCHEMBL10858355 0.80 TP53 (0.74) ALDH1A1TP53CYP3A4TDP1OPRM1
SCHEMBL11794677 0.79 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TDP1RORC
SCHEMBL11415835 0.79 ALDH1A1 (0.60) ALDH1A1TP53CYP3A4TDP1NR1I2
SCHEMBL29393483 0.77 MAPT (0.42) ALDH1A1TP53CYP3A4TDP1OPRM1
SCHEMBL10871245 0.77 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4TDP1RORC
SCHEMBL11209901 0.76 NPSR1 (0.46) ALDH1A1TP53CYP3A4TDP1GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079862-B2 Process for preparing acetanilides BASF SE (DE) 2015-07-14 US disclosed
US-20140364623-A1 PROCESS FOR PREPARING ACETANILIDES BASF SE (DE) 2014-12-11 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-20140364623-A1 PROCESS FOR PREPARING ACETANILIDES HAX1, CYP4X1, HACL2 ALDH1A1 259/4885TP53 4029/4885CYP3A4 59/4885

“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.