SCHEMBL17812867

SCHEMBL17812867

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6nn(-c7ccc(-c8ccc(-c9cnc%10ccccc%10c9)c9ccccc89)cc7)nc6c5)ccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PIK3CA P42336 7/20 0.39
PIK3CD O00329 4/20 0.39
MTOR P42345 4/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MET P08581 1/20 0.37
ALOX5 P09917 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL17805188 0.93 PIK3CA (0.43) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL17812855 0.90 PIK3CA (0.39) MAPTALDH1A1PIK3CAPIK3CDMTOR
SCHEMBL17805221 0.88 NPC1 (0.44) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL17805239 0.87 ACVR1 (0.41) NPC1MAPTRAB9APIK3CAPIK3CD
SCHEMBL17812846 0.86 PIK3CA (0.47) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL17805231 0.85 PIK3CA (0.49) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL30640158 0.85 PIK3CA (0.49) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL17812866 0.85 CYP11B1 (0.39) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL17812865 0.85 CYP11B1 (0.46) NPC1MAPTRAB9AALDH1A1PIK3CA
SCHEMBL17805254 0.85 NPC1 (0.46) NPC1MAPTRAB9AALDH1A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10593884-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 US disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
WO-2016111254-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-07-14 WO disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 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 (4 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-10593884-B2 Organic electroluminescent device AHR, SLC18A1, KCNH1 NPC1 1334/4885MAPT 2734/4885RAB9A 2537/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 NPC1 1334/4885MAPT 2734/4885RAB9A 2537/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 NPC1 4372/4885MAPT 1212/4885RAB9A 4713/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT NPC1 1622/4885MAPT 2246/4885RAB9A 2172/4885

“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.