SCHEMBL10079121

SCHEMBL10079121

CCCCc1c(C(=O)OC)c(C(=O)OC)c(CCCC)c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CNR2 P34972 3/20 0.36
CYP3A4 P08684 2/20 0.36
ACHE P22303 1/20 0.36
HCRTR1 O43613 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
PTPN1 P18031 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10079107 0.98 NPC1 (0.37) NPC1RAB9ACNR2CYP3A4ACHE
SCHEMBL12820203 0.90 NPC1 (0.39) NPC1RAB9ACNR2CYP3A4ACHE
SCHEMBL10079131 0.90 MEN1 (0.43) CNR2CYP3A4ACHEHCRTR1ALDH1A1
SCHEMBL12253671 0.89 NPC1 (0.41) NPC1RAB9ACNR2CYP3A4ACHE
SCHEMBL10079130 0.89 MEN1 (0.42) CNR2CYP3A4ACHEHCRTR1ALDH1A1
SCHEMBL10079123 0.89 PTPN1 (0.34) NPC1RAB9ACNR2CYP3A4ACHE
SCHEMBL10079127 0.87 CA12 (0.39) CNR2CYP3A4ACHEHCRTR1ALDH1A1
SCHEMBL13815350 0.86 MEN1 (0.42) CNR2CYP3A4ACHEHCRTR1ALDH1A1
SCHEMBL797431 0.85 CA12 (0.38) CNR2CYP3A4ACHEHCRTR1ALDH1A1
SCHEMBL10079141 0.82 NCEH1 (0.45) NPC1RAB9AMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115197-B2 Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORPORATION (JP) 2012-02-14 US disclosed
US-8115197-B2 Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORPORATION (JP) 2012-02-14 US disclosed
US-20090230387-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2009-09-17 US disclosed
US-20090140241-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2009-06-04 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-20090140241-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE H1-10, OR10J3, H1-0 NPC1 3795/4885RAB9A 1825/4885CNR2 3388/4885
US-20090230387-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE H1-10, OR10J3, H1-0 NPC1 3795/4885RAB9A 1825/4885CNR2 3388/4885

“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.