SCHEMBL12736291

SCHEMBL12736291

COOCc1cc(-c2cccs2)c(CC(=O)OC)cc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
MIF P14174 1/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 1/20 0.36
KEAP1 Q14145 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
SCHEMBL12736289 0.79 HSP90AB1 (0.34) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL13723053 0.74 ACACA (0.40) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL27404720 0.73 PTGS2 (0.41) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL13990328 0.73 ALDH1A1 (0.39) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL4381368 0.73 EGFR (0.42) NPC1RAB9ASMN1; SMN2TP53MIF
SCHEMBL11080802 0.72 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MIF
SCHEMBL13722840 0.72 HPGD (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13447477 0.72 HSP90AB1 (0.48) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL13723385 0.71 HPGD (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9976580 0.70 KDM4E (0.47) NPC1RAB9ASMN1; SMN2TP53MIF

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
WO-2009099070-A1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 WO 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 NPC1 3543/4885RAB9A 3050/4885SMN1; SMN2 3123/4885

“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.