SCHEMBL129744

SCHEMBL129744

CCCc1cc2c(cc[n+]3cc4cc(C)c(C)cc4cc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 2/20 0.34
HMGCR P04035 1/20 0.32
FPR1 P21462 1/20 0.31
HTR2A P28223 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL198366 0.94 CYP3A4 (0.53) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL129600 0.80 CYP3A4 (0.63) CYP3A4MAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7826957 0.78 CYP3A4 (0.68) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL129004 0.76 CYP3A4 (0.47) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL128098 0.76 CYP3A4 (0.47) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL191878 0.75 KDM4E (0.74) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL128772 0.74 CYP3A4 (0.46) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL128791 0.73 CYP3A4 (0.44) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL128667 0.71 CYP3A4 (0.60) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL193612 0.71 MAPT (0.52) CYP3A4MAPTKDM4EALDH1A1HPGD

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 CYP3A4 464/4885MAPT 4740/4885KDM4E 2001/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CYP3A4 629/4885MAPT 4773/4885KDM4E 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.