SCHEMBL1688844

SCHEMBL1688844

Cc1cc(C)cc(Nc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.71
HPGD P15428 3/20 0.65
HSD17B10 Q99714 5/20 0.60
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
ALOX12 P18054 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
TSHR P16473 3/20 0.57
ALOX15 P16050 2/20 0.57
MAPK1 P28482 2/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
PTGS2 P35354 1/20 0.57
HTR2B P41595 1/20 0.57
MAPT P10636 7/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
AR P10275 1/20 0.56
CYP3A4 P08684 4/20 0.52
HTT P42858 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
SCHEMBL28187383 0.89 NPSR1 (0.57) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
Butane SCHEMBL28243381 0.88 NPSR1 (0.57) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL1921445 0.87 RAPGEF4 (0.56) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL12249869 0.87 HPGD (0.56) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
Diphenylamine SCHEMBL21801038 0.85 NPSR1 (0.86) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL10412867 0.85 NPSR1 (0.64) NPSR1HPGDALDH1A1TDP1MAPT
SCHEMBL11041634 0.85 TSHR (0.59) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL8754117 0.85 NPSR1 (0.59) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL1323030 0.84 RAPGEF4 (0.65) NPSR1HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL16439000 0.83 NPSR1 (0.52) NPSR1HPGDALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955356-A Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2024-11-15 CN disclosed
CN-114181094-B Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2024-08-27 CN disclosed
US-12022729-B2 Compound for organic electric element, organic electric element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-06-25 US disclosed
CN-114181094-A Organic compound and organic electroluminescent element comprising the same 材料科学有限公司 2022-03-15 CN disclosed
US-11112654-B2 Liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-09-07 US disclosed
EP-3843167-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed
US-11028323-B2 Liquid crystal aligning agent containing crosslinking agent and polymer that has site having isocyanate group and/or blocked isocyanate group and site having photoreactivity, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-06-08 US disclosed
US-10921650-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-02-16 US disclosed
US-20200347226-A1 RESIN COMPOSITION FOR INSULATING FILM NISSAN CHEMICAL CORPORATION (JP) 2020-11-05 US disclosed
WO-2019139028-A1 RESIN COMPOSITION FOR INSULATING FILM 日産化学株式会社 2019-07-18 WO disclosed
US-5338847-A Hydrolytically stable chemiluminescent labels and their conjugates, and assays therefrom by adduct formation LONDON DIAGNOSTICS, INC. (US) 1994-08-16 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
US-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 WO disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed
EP-0027003-B1 A PROCESS FOR PREPARING A DIARYLAMINE XEROX CORPORATION (US) 1983-06-29 EP disclosed
US-4299983-A Chemical process XEROX CORPORATION (US) 1981-11-10 US disclosed
EP-0027003-A1 A process for preparing a diarylamine XEROX CORPORATION (US) 1981-04-15 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-12022729-B2 Compound for organic electric element, organic electric element comprising the same, and electronic device thereof PIEZO1, VDAC2, ORAI2 NPSR1 4874/4885HPGD 3294/4885HSD17B10 3125/4885

“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.