SCHEMBL2271850

SCHEMBL2271850

CC(N)=CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CYP1A1 P04798 8/20 0.50
CYP1B1 Q16678 8/20 0.50
MAOB P27338 3/20 0.49
P4HB P07237 1/20 0.47
SRD5A2 P31213 1/20 0.46
GSK3B P49841 2/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NQO2 P16083 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL2271846 1.00 NR4A1 (0.57) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL2273820 0.84 ALDH1A1 (0.56) SRD5A2ALDH1A1NQO2
SCHEMBL2273823 0.84 ALDH1A1 (0.56) SRD5A2ALDH1A1NQO2
SCHEMBL710589 0.81 NR4A1 (0.49) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL2271311 0.79 MAPT (0.61) CES2CES1ALDH1A1NQO2
SCHEMBL2271314 0.79 MAPT (0.61) CES2CES1ALDH1A1NQO2
SCHEMBL4901207 0.79 CYP1A2 (0.59) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL4901204 0.79 CYP1A2 (0.59) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL9619495 0.79 MAPT (0.66) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL29089422 0.78 CYP1A1 (0.56) NR4A1NR4A2NR4A3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218388-A β-carbonyl olefinic amine compound and as the application preparing antibacterial agents for pathogenic bacteria UNIV NORTHWEST A&F 2016-01-06 CN disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 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-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use RYR1, RYR2, CACNA1S NR4A1 235/4885NR4A2 328/4885NR4A3 308/4885

“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.