SCHEMBL10045295

SCHEMBL10045295

Bc1nc2cc(C(C)(C)C)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GFER P55789 1/20 0.51
FBP1 P09467 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
F2RL3 Q96RI0 3/20 0.41
CNR2 P34972 5/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14947174 0.81 NPC1 (0.75) NPC1RAB9AGFERHDAC3HDAC1
SCHEMBL2706413 0.80 NPC1 (0.49) NPC1RAB9AGFERFBP1HDAC3
SCHEMBL4399183 0.80 L3MBTL1 (0.53) NPC1RAB9AGFERFBP1HDAC3
SCHEMBL15745637 0.79 NPC1 (0.73) NPC1RAB9AGFERHDAC3HDAC1
SCHEMBL3288472 0.79 NPC1 (0.78) NPC1RAB9AGFERHDAC3HDAC1
SCHEMBL10045308 0.79 NPC1 (0.68) NPC1RAB9AGFERHDAC3HDAC1
SCHEMBL23095285 0.79 NPC1 (0.48) NPC1RAB9AGFERFBP1HDAC3
SCHEMBL179531 0.79 MAPT (0.56) NPC1RAB9AGFERFBP1HDAC3
SCHEMBL3068277 0.79 FBP1 (0.50) NPC1RAB9AGFERFBP1HDAC3
SCHEMBL29594055 0.79 NPC1 (0.48) NPC1RAB9AGFERFBP1HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 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 (2 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-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE LEF1, CRY1, SOD1 NPC1 2107/4885RAB9A 425/4885GFER 1844/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD NPC1 59/4885RAB9A 2271/4885GFER 3619/4885

“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.