SCHEMBL5852606

SCHEMBL5852606

Nc1ccc(-c2ccc(N)cc2-c2ccc(-c3ccccc3)cc2)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.61
CYP3A4 P08684 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
TAAR1 Q96RJ0 2/20 0.61
MAOA P21397 1/20 0.54
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 5/20 0.52
MEN1 O00255 5/20 0.52
HPGD P15428 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
HTT P42858 3/20 0.52
PTPRC P08575 2/20 0.52
APAF1 O14727 2/20 0.52
PTBP1 P26599 2/20 0.52
GALK1 P51570 2/20 0.52
BLM P54132 2/20 0.52
SMAD3 P84022 2/20 0.52

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
SCHEMBL29830590 0.95 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL21582646 0.95 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL25301803 0.95 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL29658028 0.95 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL38924 0.95 ALDH1A1 (0.56) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL30108087 0.95 ALDH1A1 (0.56) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL1727313 0.94 CYP3A4 (0.60) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL29458681 0.93 CYP3A4 (0.65) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL30670342 0.93 CYP3A4 (0.65) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL5459730 0.93 CYP3A4 (0.65) HSD17B10CYP3A4TDP1TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10014478-B2 Indenotriphenylene-based diamine derivative and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2018-07-03 US disclosed
US-20160343941-A1 INDENOTRIPHENYLENE-BASED DIAMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-11-24 US disclosed
US-7074493-B1 from 2,2'-bis(trifluoromethyl or trifluoromethylphenyl)-4,4'-diamino biphenyl and 2,2'-bis(trifluoromethyl or trifluoromethylphenyl)-3,3',4,4'-biphenyl tetracarboxylic acid; soluble in organic solvents; low dielectric constant; high coefficient of thermal expansion; heat resistance; integrated circuits THE UNIVERSITY OF AKRON (US) 2006-07-11 US disclosed
WO-2000045435-A1 POLYIMIDES USED AS MICROELECTRONIC COATINGS THE UNIVERSITY OF AKRON (US) 2000-08-03 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 (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-10014478-B2 Indenotriphenylene-based diamine derivative and organic electroluminescence device using the same CCNE2, DDT, DRD1 HSD17B10 3916/4885CYP3A4 2524/4885TDP1 1121/4885
US-20160343941-A1 INDENOTRIPHENYLENE-BASED DIAMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNE2, DDT, DRD1 HSD17B10 3916/4885CYP3A4 2524/4885TDP1 1121/4885

“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.