SCHEMBL5746674

SCHEMBL5746674

Cc1cc2cc[c]c3ccc4cccc1c4c32

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 10/20 0.40
FYN P06241 2/20 0.40
ACHE P22303 2/20 0.40
AHR P35869 2/20 0.40
ERBB2 P04626 1/20 0.40
MAOA P21397 1/20 0.40
THRB P10828 1/20 0.38
CYP2A6 P11509 5/20 0.37
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
LCK P06239 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5749387 0.90 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5749681 0.89 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5746196 0.83 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5748360 0.83 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL15327722 0.80 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL31162741 0.80 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5750455 0.80 PPARG (0.39) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5748296 0.80 CYP1A2 (0.37) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5745906 0.80 CYP1A2 (0.37) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL18317220 0.80 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP 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 (1 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 ALDH1A1 200/4885HPGD 1548/4885HSD17B10 2265/4885

“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.