SCHEMBL3262084

SCHEMBL3262084

CC1(C)OB(c2ccc3oc(-c4ccccc4)nc3c2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.57
RAB9A P51151 11/20 0.57
SMN1; SMN2 Q16637 9/20 0.57
KDM4E B2RXH2 8/20 0.57
HPGD P15428 6/20 0.57
POLB P06746 3/20 0.57
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
SENP8 Q96LD8 1/20 0.57
LPL P06858 2/20 0.53
LIPG Q9Y5X9 2/20 0.53
ALDH1A1 P00352 8/20 0.48
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
PTPN2 P17706 3/20 0.44

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
SCHEMBL10173049 0.92 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23606558 0.90 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL16445623 0.89 LPL (0.53) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL30402365 0.87 TSHR (0.62) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL17544288 0.87 TSHR (0.62) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL19057477 0.87 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23606779 0.85 LIPG (0.52) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL14243217 0.84 HDAC3 (0.51) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL357472 0.83 LPL (0.55) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL24479513 0.83 LPL (0.42) NPC1RAB9ASMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173328-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2022-06-02 US disclosed
US-20210198212-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2021-07-01 US disclosed
US-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2021-03-11 US disclosed
WO-2015111943-A1 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME 주식회사 두산 2015-07-30 WO disclosed
WO-2015111943-A1 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME 주식회사 두산 2015-07-30 WO disclosed
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (3 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-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, EED, OCIAD2 NPC1 3199/4885RAB9A 3258/4885SMN1; SMN2 4531/4885
US-20210198212-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME OCIAD2, OCIAD1, TRPC1 NPC1 2440/4885RAB9A 4144/4885SMN1; SMN2 2163/4885
US-20220173328-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SLCO4C1, SLCO2A1, SLCO2B1 NPC1 365/4885RAB9A 1966/4885SMN1; SMN2 4734/4885

“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.