SCHEMBL9629458

SCHEMBL9629458

CC1(c2ccccc2)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PAX8 Q06710 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1C1 Q04828 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Phosphine SCHEMBL27942052 0.98 HDAC4 (0.35) HDAC4OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL29136559 0.82 MAOB (0.34)
SCHEMBL17227354 0.81 SLC6A2 (0.34) ALDH1A1LMNAGAAL3MBTL1MMP2
SCHEMBL22755935 0.81 SLC6A2 (0.33) ALDH1A1L3MBTL1MMP2MMP9
SCHEMBL23254578 0.81 SLC6A2 (0.34) ALDH1A1LMNAGAAL3MBTL1MMP2
SCHEMBL30217567 0.80 MAPK1 (0.34) HDAC4LMNAHSD11B1KMT2A
SCHEMBL30404797 0.80 MAOB (0.34) HSD11B1
SCHEMBL29818664 0.80
SCHEMBL28478060 0.80 CHRNA1 (0.37) HDAC4OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL14466361 0.79 ALDH1A1 (0.33) ALDH1A1LMNAL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397397-B Diaryl and episulfide and selenides and its synthesis and application 华东师范大学 2019-02-01 CN claimed
CN-106397397-A Diaryl ring fused sulfides and diaryl ring fused selenides, and synthesis method and application thereof 华东师范大学 2017-02-15 CN claimed
EP-4743400-A1 GROUP 14 - GROUP 1 CATHODE Group14 Technologies, Inc. (US) 2026-05-20 EP disclosed
WO-2025015304-A1 GROUP 14 - GROUP 1 CATHODE GROUP14 TECHNOLOGIES, INC. (US) 2025-01-16 WO disclosed
EP-4031549-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2022-07-27 EP disclosed
CN-113373465-A Method for synthesizing silicon-based substituted benzimidazolo isoquinolinone compounds through photoelectric concerted catalysis 北京工业大学 2021-09-10 CN disclosed
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 WO disclosed
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-106397397-B Diaryl and episulfide and selenides and its synthesis and application 华东师范大学 2019-02-01 CN disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed
CN-106397397-A Diaryl ring fused sulfides and diaryl ring fused selenides, and synthesis method and application thereof 华东师范大学 2017-02-15 CN disclosed
CN-104039843-B Prepare the method for polydiene BRIDGESTONE CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-104039843-A Process For Producing Polydienes BRIDGESTONE CORP 2014-09-10 CN disclosed
CN-101687886-B Seven-membered ring compound and pharmaceutical application thereof in preventing and treating diabetes and metabolic syndrome SHANGHAI INST MATERIA MEDICA 2012-11-07 CN disclosed
WO-2012133936-A1 CATALYST FOR PRODUCING ETHYLENE-BASED POLYMER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
US-5157182-A Conversion of ortho-ethyltoluene to indene AMOCO CORPORATION (US) 1992-10-20 US disclosed