SCHEMBL127752

SCHEMBL127752

COc1ccc2c(cc[n+]3c(C)c4cc(C)c(C)c(-c5ccc(-c6ccccc6)cc5)c4cc23)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
CYP3A4 P08684 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SLC10A2 Q12908 1/20 0.32
TACR1 P25103 2/20 0.32
CYP19A1 P11511 1/20 0.32
NQO2 P16083 1/20 0.32
POLB P06746 1/20 0.31
BCL9 O00512 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
SCHEMBL195232 0.89 ALDH1A1 (0.39) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL127667 0.83 PDE5A (0.41) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL195313 0.81 IDO1 (0.37) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL128940 0.80 MAPT (0.42) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL129945 0.76 GAA (0.35) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL7823305 0.71 MAPT (0.68) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL179696 0.70 MAPT (0.46) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL128921 0.69 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL197485 0.68 KDM4E (0.56) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL16186790 0.68 MAPT (0.31) MAPTKDM4EHPGDCYP3A4GAA

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 4740/4885ALDH1A1 2930/4885KDM4E 2001/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MAPT 4773/4885ALDH1A1 3376/4885KDM4E 1992/4885

“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.