SCHEMBL3083564

SCHEMBL3083564

Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)s3)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
DAO P14920 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PRMT6 Q96LA8 1/20 0.34
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18099187 0.97 NPC1 (0.37) NPC1MAPTDAOCASP3RAB9A
SCHEMBL20468100 0.82
SCHEMBL13416013 0.82 APP (0.50) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14540195 0.82 GRM5 (0.44) NPC1MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16844619 0.79 PRMT6 (0.33) NPC1MAPTDAOCASP3RAB9A
SCHEMBL1173602 0.79 PRMT6 (0.33) NPC1MAPTDAOCASP3RAB9A
SCHEMBL12884263 0.79 CYP1A2 (0.37)
SCHEMBL13167628 0.79 APP (0.54) NPC1MAPTRAB9AALDH1A1GFER
SCHEMBL7580014 0.77 CYP2C19 (0.39) PRMT6
SCHEMBL79595 0.77 MAPK14 (0.35) DAOPRMT6DPP4L3MBTL1

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-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS DAI NIPPON PRINTING CO., LTD. (JP) 2010-09-09 US disclosed
US-20070045613-A1 Organic semiconductor material, Organic semiconductor structure and Organic semiconductor apparatus DAI NIPPON PRINTING CO., LTD. (JP) 2007-03-01 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-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS TST, OSTC, LATS2 NPC1 1732/4885MAPT 641/4885DAO 2882/4885

“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.