SCHEMBL195229

SCHEMBL195229

COc1cc2cc[n+]3c(C)c4c(OC)c(OC)c(OC)cc4cc3c2cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC10A2 Q12908 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL127902 0.91 MAPT (0.46) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL179694 0.82 CYP3A4 (0.74) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL128708 0.80 KDM4E (0.63) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL195168 0.78 CYP3A4 (0.56) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL128843 0.77 HPGD (0.58) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL197485 0.75 KDM4E (0.56) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL13076467 0.75 KDM4E (0.74) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL129005 0.73 CYP3A4 (0.63) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL129156 0.73 MAPT (0.52) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL198013 0.73 CYP3A4 (0.51) ALDH1A1CYP3A4MAPTKDM4EHPGD

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 1 patent. 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

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 ALDH1A1 2930/4885CYP3A4 464/4885MAPT 4740/4885

“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.