SCHEMBL16189646

SCHEMBL16189646

COc1ccc2cc(-c3cc4c(c(-c5ccc(-c6ccccc6)cc5)c3)OCO4)[n+](C)cc2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.48
ACHE P22303 7/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
HIF1A Q16665 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
ATP2A1 O14983 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL127656 0.89 ACHE (0.38) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL16189647 0.80 BCHE (0.52) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL198012 0.78 BCHE (0.49) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL13284305 0.73 ALDH1A1 (0.66) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL13283969 0.72 ALDH1A1 (0.64) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL13283970 0.72 ALDH1A1 (0.64) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL129768 0.72 PTGS1 (0.44) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL128827 0.70 CYP1B1 (0.40) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL215882 0.69 IDO1 (0.39) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL12074253 0.67 ALDH1A1 (0.40) BCHEACHEALDH1A1MAPTSMN1; SMN2

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 2 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

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-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L BCHE 2271/4885ACHE 3734/4885ALDH1A1 3376/4885

“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.