SCHEMBL128940

SCHEMBL128940

COc1ccc2c(cc[n+]3cc4cc(C)c(C)c(-c5ccc(-c6ccccc6)cc5)c4cc23)c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CYP3A4 P08684 1/20 0.42
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
SLC10A2 Q12908 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACLY P53396 3/20 0.31
CYP19A1 P11511 1/20 0.31
NQO2 P16083 1/20 0.31
COL1A1 P02452 1/20 0.31
POLB P06746 2/20 0.31
ALOX5 P09917 1/20 0.31
USP2 O75604 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL179696 0.89 MAPT (0.46) MAPTCYP3A4IDO1TDO2KDM4E
SCHEMBL16186790 0.87 MAPT (0.31) MAPTCYP3A4KDM4EHPGDGAA
SCHEMBL129668 0.82 PDE3B (0.48) MAPTCYP3A4
SCHEMBL127752 0.80 MAPT (0.36) MAPTCYP3A4IDO1TDO2KDM4E
SCHEMBL195535 0.79 MAPT (0.45) MAPTCYP3A4IDO1TDO2KDM4E
SCHEMBL129965 0.75 PDE4A (0.39) MAPTCYP3A4IDO1TDO2KDM4E
SCHEMBL7821022 0.72 MAPT (0.65) MAPTCYP3A4IDO1TDO2KDM4E
SCHEMBL195232 0.72 ALDH1A1 (0.39) MAPTCYP3A4IDO1TDO2KDM4E
Hydrochloric Acid SCHEMBL7812760 0.71 MAPT (0.64) MAPTCYP3A4IDO1TDO2KDM4E
SCHEMBL129156 0.69 MAPT (0.52) MAPTCYP3A4IDO1TDO2KDM4E

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 4740/4885CYP3A4 464/4885IDO1 588/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MAPT 4773/4885CYP3A4 629/4885IDO1 864/4885

“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.