SCHEMBL127902

SCHEMBL127902

COc1cc2cc[n+]3c(C)c4c(OC)c(C)c(C)cc4cc3c2cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACA Q13085 2/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PGR P06401 1/20 0.32
SLC10A2 Q12908 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
GAA P10253 1/20 0.30
SQOR Q9Y6N5 1/20 0.30

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
SCHEMBL195229 0.91 ALDH1A1 (0.49) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL128708 0.82 KDM4E (0.63) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL129156 0.81 MAPT (0.52) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL179694 0.80 CYP3A4 (0.74) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL129005 0.76 CYP3A4 (0.63) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL128843 0.74 HPGD (0.58) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL197485 0.73 KDM4E (0.56) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL13076467 0.73 KDM4E (0.74) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL128925 0.73 KDM4E (0.56) MAPTHPGDCYP3A4ALDH1A1KDM4E
SCHEMBL128769 0.72 CYP3A4 (0.62) MAPTHPGDCYP3A4ALDH1A1KDM4E

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
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MAPT 4740/4885HPGD 4046/4885CYP3A4 464/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MAPT 4773/4885HPGD 4224/4885CYP3A4 629/4885

“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.