SCHEMBL195535

SCHEMBL195535

COc1cc2c[n+]3ccc4c(OC)c(OC)ccc4c3c(-c3ccc(-c4ccccc4)cc3)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP3A4 P08684 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
RAD52 P43351 2/20 0.36
ACACA Q13085 1/20 0.36
RAC1 P63000 3/20 0.36
CDC42 P60953 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ATP2A1 O14983 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 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
SCHEMBL129965 0.89 PDE4A (0.39) MAPTCYP3A4IDO1TDO2ACACA
SCHEMBL179696 0.83 MAPT (0.46) MAPTCYP3A4CTDSP1IDO1TDO2
SCHEMBL128940 0.79 MAPT (0.42) MAPTCYP3A4CTDSP1IDO1TDO2
SCHEMBL195313 0.79 IDO1 (0.37) MAPTCYP3A4CTDSP1IDO1TDO2
SCHEMBL129668 0.76 PDE3B (0.48) MAPTCYP3A4PDE5APDE4APDE1A
SCHEMBL7821022 0.71 MAPT (0.65) MAPTCYP3A4IDO1TDO2RAD52
SCHEMBL13284349 0.70 RAC1 (0.53) MAPTCYP3A4CTDSP1IDO1TDO2
SCHEMBL129945 0.70 GAA (0.35) MAPTCYP3A4IDO1TDO2ALDH1A1
SCHEMBL13284346 0.70 RAC1 (0.52) MAPTCYP3A4CTDSP1IDO1TDO2
Hydrochloric Acid SCHEMBL7812760 0.70 MAPT (0.64) MAPTCYP3A4IDO1TDO2RAD52

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 MAPT 4740/4885CYP3A4 464/4885CTDSP1 3343/4885

“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.