SCHEMBL3045287

SCHEMBL3045287

Cc1[c]c2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
KDM4E B2RXH2 3/20 0.36
THRB P10828 1/20 0.32
AMY1A P0DUB6 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
SCHEMBL2964032 0.78 CYP1A2 (0.35) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL6418835 0.76 ALDH1A1 (0.44) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL28791375 0.76 ALDH1A1 (0.44) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL7182324 0.76 CYP1A2 (0.44) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL5746629 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL21879786 0.76 CYP3A4 (0.39) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL5746331 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL2453887 0.74 CYP1A2 (0.42) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL5745549 0.72 ALDH1A1 (0.39) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL1214939 0.72 HSD17B10 (0.43) CYP1A2ALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795938-B Organic light-emitting element, laminate, and light-emitting method 九州有机光材股份有限公司 2024-05-28 CN disclosed
CN-113795938-A Organic light-emitting element, laminate, and light-emitting method 九州有机光材股份有限公司 2021-12-14 CN disclosed
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-7749969-B2 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2010-07-06 US disclosed
US-20070123469-A1 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2007-05-31 US disclosed
WO-2007007060-A2 N- OR C- TERMINALLY MODIFIED SMALL PEPTIDES ZEALAND PHARMA A/S (DK) 2007-01-18 WO 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
US-5382687-A Electrography HITACHI CHEMICAL COMPANY LTD. (JP) 1995-01-17 US disclosed
EP-0448389-B1 Enamine derivatives and their use in electrophotographic member HITACHI CHEMICAL CO LTD (JP) 1994-12-14 EP disclosed
US-5272030-A Electrophotographic member comprising enamine derivatives HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-12-21 US disclosed
EP-0448389-A1 Enamine derivatives and their use in electrophotographic member Hitachi Chemical Co., Ltd. (JP) 1991-09-25 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 (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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 CYP1A2 74/4885ALDH1A1 200/4885HPGD 1548/4885
US-20070123469-A1 N- or C- terminally modified small peptides PTMS, CYP11A1, CYP3A4 CYP1A2 49/4885ALDH1A1 1790/4885HPGD 644/4885

“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.