SCHEMBL127939

SCHEMBL127939

COc1cc2cc[n+]3cc4cc(CO)c(CO)cc4cc3c2cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ACACA Q13085 2/20 0.37
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
PPM1A P35813 1/20 0.36
PGR P06401 1/20 0.36
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34

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
SCHEMBL127933 0.98 CYP3A4 (0.45) CYP3A4MAPTPDE4APDE4BPDE4C
SCHEMBL198013 0.91 CYP3A4 (0.51) CYP3A4MAPTACACAPPM1APGR
SCHEMBL179695 0.89 CYP3A4 (0.53) CYP3A4MAPTACACAPGRHPGD
SCHEMBL16186792 0.86 RAB9A (0.33) CYP3A4MAPTHPGDKDM4EALDH1A1
SCHEMBL128098 0.85 CYP3A4 (0.47) CYP3A4MAPTACACAPPM1APGR
SCHEMBL193612 0.81 MAPT (0.52) CYP3A4MAPTACACAPPM1AHPGD
SCHEMBL195168 0.81 CYP3A4 (0.56) CYP3A4MAPTACACAPPM1APGR
SCHEMBL129004 0.79 CYP3A4 (0.47) CYP3A4MAPTPPM1AHPGDKDM4E
SCHEMBL128843 0.79 HPGD (0.58) CYP3A4MAPTPDE4APDE4BPDE4C
SCHEMBL13076611 0.78 MAPT (0.51) CYP3A4MAPTPPM1AHPGDKDM4E

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 4740/4885PDE4A 1469/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CYP3A4 629/4885MAPT 4773/4885PDE4A 1919/4885

“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.