SCHEMBL1923129

SCHEMBL1923129

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.43
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
APEX1 P27695 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
GPR3 P46089 1/20 0.35
CYP2C9 P11712 1/20 0.33
PTPRC P08575 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP3 P08254 1/20 0.33
NPC1 O15118 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
SCHEMBL27194802 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29789010 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29466105 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL989818 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1795297 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL23759843 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL31531021 1.00 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL4631076 0.98 PDK2 (0.44) PDK2MMP2MMP9MMP8MMP13
SCHEMBL24257913 0.97 PDK2 (0.41) PDK2MMP2MMP9MMP8MMP13
SCHEMBL5498540 0.95 PDK2 (0.40) PDK2MMP2MMP9MMP8MMP13

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880828-A Nitric oxide infrared fluorescent probe and preparation method and use method thereof 南京师范大学 2022-01-04 CN claimed
CN-101580581-B Electric field-induced red-light-emitting polymer taking pyrrolo-pyrrole-dione as lateral chain and preparation and application thereof UNIV SOUTH CHINA TECH 2011-07-20 CN claimed
CN-101580581-A Electric field-induced red-light-emitting polymer taking pyrrolo-pyrrole-dione as lateral chain and preparation and application thereof UNIV SOUTH CHINA TECH (CN) 2009-11-18 CN claimed
EP-3591441-B1 OPTICAL ELEMENT, MATERIAL, OPTICAL DEVICE AND COMPOUND CANON KK (JP) 2024-11-06 EP disclosed
US-11999818-B2 High molecular weight triarylamine compound comprising terphenyl structure in molecular main chain and organic electroluminescent element comprising said high molecular weight compound HODOGAYA CHEMICAL CO., LTD. (JP) 2024-06-04 US disclosed
US-11974494-B2 Polymer compound, composition including the polymer compound, light-emitting device including the polymer compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-04-30 US disclosed
CN-109134418-B Dibenzopyran seven-membered fused ring unit and derivative thereof, preparation method and application 东莞伏安光电科技有限公司 2023-11-28 CN disclosed
CN-110462449-B Optical element, material, optical device and compound 佳能株式会社 2023-08-18 CN disclosed
CN-116589615-A Optical element, material, optical device and compound 佳能株式会社 2023-08-15 CN disclosed
CN-112384547-B Triarylamine high molecular weight compound having terphenyl structure in molecular main chain and organic electroluminescent element comprising same 保土谷化学工业株式会社 2023-07-11 CN disclosed
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator MITSUBISHI CHEMICAL CORPORATION (JP) 2023-01-05 US disclosed
US-20040214037-A1 Ethynyl containing electron transport dyes and compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed
WO-2004072205-A2 CARBAZOLE COMPOUNDS AND USE OF SUCH COMPOUNDS IN ORGANIC ELECTROLUMINESCENT DEVICES KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-08-26 WO disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
WO-2004041962-A2 THERMALLY CROSSLINKABLE MATERIALS AND MULTI-LAYERED DEVICES THEREFROM NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2004-05-21 WO disclosed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed
US-20030219625-A1 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2003-11-27 US disclosed
WO-2003090502-A2 MATERIALS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 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 (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-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator INF2, EMC2, DRD4 PDK2 2051/4885MMP2 4779/4885MMP9 4357/4885

“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.