SCHEMBL179696

SCHEMBL179696

COc1cc2c[n+]3ccc4c(OC)c(OC)ccc4c3cc2c(-c2ccc(-c3ccccc3)cc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP3A4 P08684 1/20 0.46
TDO2 P48775 3/20 0.38
IDO1 P14902 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACACA Q13085 1/20 0.33
SLC10A2 Q12908 1/20 0.33
ACLY P53396 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL128940 0.89 MAPT (0.42) MAPTCYP3A4TDO2IDO1CTDSP1
SCHEMBL129668 0.85 PDE3B (0.48) MAPTCYP3A4
SCHEMBL195535 0.83 MAPT (0.45) MAPTCYP3A4TDO2IDO1CTDSP1
SCHEMBL195232 0.78 ALDH1A1 (0.39) MAPTCYP3A4TDO2IDO1CTDSP1
SCHEMBL7821022 0.77 MAPT (0.65) MAPTCYP3A4TDO2IDO1HPGD
SCHEMBL129965 0.77 PDE4A (0.39) MAPTCYP3A4TDO2IDO1HPGD
Hydrochloric Acid SCHEMBL7812760 0.76 MAPT (0.64) MAPTCYP3A4TDO2IDO1HPGD
SCHEMBL16186790 0.76 MAPT (0.31) MAPTCYP3A4HPGDKDM4EGAA
SCHEMBL127752 0.70 MAPT (0.36) MAPTCYP3A4TDO2IDO1HPGD
SCHEMBL14930684 0.70 CYP3A4 (0.49) MAPTCYP3A4TDO2IDO1CTDSP1

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 464/4885TDO2 1288/4885

“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.