SCHEMBL198013

SCHEMBL198013

COc1cc2cc3c4cc(-c5ccc(-c6ccccc6)cc5)c(OC)cc4cc[n+]3cc2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
MAPT P10636 3/20 0.51
ACACA Q13085 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
MAPK1 P28482 1/20 0.40
PGR P06401 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PPM1A P35813 1/20 0.35

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
SCHEMBL179695 0.97 CYP3A4 (0.53) CYP3A4MAPTACACAALDH1A1KDM4E
SCHEMBL128098 0.92 CYP3A4 (0.47) CYP3A4MAPTACACAALDH1A1KDM4E
SCHEMBL127939 0.91 CYP3A4 (0.43) CYP3A4MAPTACACAALDH1A1KDM4E
SCHEMBL193612 0.89 MAPT (0.52) CYP3A4MAPTACACAALDH1A1KDM4E
SCHEMBL127933 0.89 CYP3A4 (0.45) CYP3A4MAPTACACAALDH1A1KDM4E
SCHEMBL195168 0.86 CYP3A4 (0.56) CYP3A4MAPTACACAALDH1A1KDM4E
SCHEMBL13076611 0.85 MAPT (0.51) CYP3A4MAPTALDH1A1KDM4EHPGD
SCHEMBL129004 0.84 CYP3A4 (0.47) CYP3A4MAPTALDH1A1KDM4EHPGD
SCHEMBL13076900 0.83 CYP3A4 (0.46) CYP3A4MAPTALDH1A1KDM4EHPGD
SCHEMBL129156 0.82 MAPT (0.52) CYP3A4MAPTACACAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CYP3A4 464/4885MAPT 4740/4885ACACA 4571/4885

“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.