SCHEMBL215882

SCHEMBL215882

COc1ccc2cc3c4cc(-c5ccc(-c6ccccc6)cc5)c5c(c4cc[si]3cc2c1OC)OCO5

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
TDO2 P48775 3/20 0.39
BCHE P06276 5/20 0.34
ACHE P22303 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HIF1A Q16665 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
ATP2A1 O14983 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL16189646 0.69 BCHE (0.48) IDO1TDO2BCHEACHEALDH1A1
SCHEMBL128821 0.65 CYP3A4 (0.39) IDO1TDO2BCHEACHEALDH1A1
SCHEMBL13284305 0.61 ALDH1A1 (0.66) IDO1TDO2BCHEACHEALDH1A1
SCHEMBL612204 0.60 IDO1 (0.49) IDO1TDO2ACHEALDH1A1MAPT
SCHEMBL150560 0.59 RAB9A (0.59) IDO1TDO2ACHEALDH1A1MAPT
SCHEMBL26259771 0.58 ESR1 (0.54) IDO1TDO2KMT2AACACA
SCHEMBL10595717 0.57 STIM1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1USP2
SCHEMBL3631528 0.57 NQO1 (0.64) IDO1TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL29485688 0.57 NQO1 (0.64) IDO1TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8124287 0.57 STIM1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1USP2

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 IDO1 588/4885TDO2 1288/4885BCHE 2274/4885

“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.