SCHEMBL17812865

SCHEMBL17812865

c1cncc(-c2ccc(-c3ccc(-n4nc5ccc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)cc5n4)cc3)c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
CYP17A1 P05093 4/20 0.46
CYP19A1 P11511 3/20 0.46
PIK3CA P42336 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B2 P37059 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL17805222 0.93 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1CYP19A1PIK3CA
SCHEMBL30911063 0.93 CYP11B2 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1PIK3CA
SCHEMBL15949831 0.93 CYP11B2 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1PIK3CA
SCHEMBL17812860 0.91 PIK3CA (0.43) CYP11B1CYP11B2PIK3CACYP1A2CYP3A4
SCHEMBL17812859 0.90 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1PIK3CA
SCHEMBL10018423 0.90 CYP11B2 (0.56) CYP11B1CYP11B2CYP17A1CYP19A1PIK3CA
SCHEMBL10050052 0.89 CYP11B2 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1PIK3CA
SCHEMBL15949791 0.89 CYP11B2 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1CYP2C9
SCHEMBL30911067 0.89 CYP11B2 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1CYP2C9
SCHEMBL17805262 0.89 CYP11B1 (0.50) CYP11B1CYP11B2CYP17A1CYP19A1CYP2C9

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 CYP11B1 272/4885CYP11B2 470/4885CYP17A1 355/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 CYP11B1 272/4885CYP11B2 470/4885CYP17A1 355/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 CYP11B1 668/4885CYP11B2 556/4885CYP17A1 1424/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT CYP11B1 450/4885CYP11B2 394/4885CYP17A1 715/4885

“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.