SCHEMBL19009931

SCHEMBL19009931

COc1ccc(OC)c2nc(-c3ccccc3)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.72
TDO2 P48775 3/20 0.60
RAB9A P51151 2/20 0.56
PDE10A Q9Y233 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ADORA1 P30542 2/20 0.48
NQO2 P16083 1/20 0.47
IDO1 P14902 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL21801785 0.81 TDO2 (0.52) NPC1TDO2RAB9APDE10ASMN1; SMN2
SCHEMBL4165094 0.79 SMN1; SMN2 (0.68) NPC1TDO2RAB9APDE10ASMN1; SMN2
SCHEMBL8889339 0.79 MCHR1 (0.57) NPC1TDO2RAB9APDE10ASMN1; SMN2
SCHEMBL8889898 0.79 NPC1 (0.55) NPC1TDO2RAB9APDE10AKDM4E
SCHEMBL14308364 0.76 SMN1; SMN2 (0.59) NPC1TDO2PDE10ASMN1; SMN2HPGD
SCHEMBL19009922 0.76 SMN1; SMN2 (0.59) NPC1TDO2RAB9APDE10ASMN1; SMN2
SCHEMBL25228023 0.75 TDO2 (0.55) NPC1TDO2RAB9ASMN1; SMN2HPGD
SCHEMBL11395164 0.74 PDE10A (0.67) NPC1RAB9APDE10ASMN1; SMN2HPGD
SCHEMBL4698397 0.73 NPC1 (0.74) NPC1TDO2RAB9APDE10ASMN1; SMN2
SCHEMBL4702517 0.73 NPC1 (0.80) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10581022-B2 Polymerizable liquid crystal compound, composition, liquid crystal polymerization film-kind thereof and use thereof JNC CORPORATION (JP) 2020-03-03 US disclosed
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 US disclosed
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 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-10581022-B2 Polymerizable liquid crystal compound, composition, liquid crystal polymerization film-kind thereof and use thereof RCC1, CHRM1, PFN1 NPC1 2240/4885TDO2 1130/4885RAB9A 1629/4885
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF RCC1, CHRM1, PFN1 NPC1 2240/4885TDO2 1130/4885RAB9A 1629/4885

“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.