SCHEMBL17812866

SCHEMBL17812866

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6nn(-c7ccc(-c8ccc(-c9cncc%10ccccc9%10)c9ccccc89)cc7)nc6c5)ccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRKCZ Q05513 1/20 0.37
ERN1 O75460 1/20 0.36
CYP17A1 P05093 4/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17812843 0.95 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL17812862 0.92 PRKCZ (0.38) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL17812839 0.91 CYP11B1 (0.47) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL17805233 0.87 PRKCZ (0.43) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL30640166 0.87 PRKCZ (0.43) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL17812865 0.86 CYP11B1 (0.46) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL17805215 0.85 CYP11B1 (0.33) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL17812867 0.85 NPC1 (0.39) PIK3CDPIK3CAMTORNPC1ALDH1A1
SCHEMBL17812840 0.83 PRKCZ (0.46) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL19529190 0.83 KDM4E (0.44) CYP1A2CYP2D6CYP2C9CYP2C19PIK3CD

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 470/4885CYP3A4 136/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 CYP11B1 272/4885CYP11B2 470/4885CYP3A4 136/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 CYP11B1 668/4885CYP11B2 556/4885CYP3A4 897/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT CYP11B1 450/4885CYP11B2 394/4885CYP3A4 30/4885

“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.