SCHEMBL4087954

SCHEMBL4087954

Ic1ccccc1C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
PTGS2 P35354 1/20 0.41
NOS1 P29475 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CEL P19835 1/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
DYRK1A Q13627 1/20 0.36
HTR2C P28335 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL4050008 0.98 PTGDR2 (0.40) PTGDR2PTGS2NOS1BCHEACHE
SCHEMBL30028865 0.88 HTR2C (0.39) HTR2C
SCHEMBL3453584 0.88 HTR2C (0.39) HTR2C
Formaldehyde SCHEMBL28173686 0.87 PTGDR2 (0.37) PTGDR2PTGS2NOS1CELCCNE1
SCHEMBL42781 0.83 PTGDR2 (0.48) PTGDR2PTGS2NOS1BCHEACHE
SCHEMBL20133796 0.81 ESR2 (0.35) PTGDR2PTGS2NOS1HTR2CHTR1D
Benzene SCHEMBL27853973 0.80 PTGDR2 (0.52) PTGDR2PTGS2BCHEACHECEL
SCHEMBL779938 0.80 CHRNB4 (0.46) PTGDR2PTGS2BCHEACHECEL
SCHEMBL19144813 0.79 CEL (0.41) PTGDR2PTGS2BCHEACHECEL
SCHEMBL11836887 0.78 HTR2C (0.60) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN disclosed
CN-103787826-B Cycloheptane compounds and the liquid-crystal composition that contains this compound and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-05-18 CN disclosed
CN-103787826-A Cycloheptane compound, liquid crystal composition containing compound and application of cycloheptane compound SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2014-05-14 CN disclosed
CN-103570620-A 1,12-iminobenzo[c]phenanthrene compound, intermediate, preparation method and application of compound KUNSHAN VISIONOX DISPLAY TECH 2014-02-12 CN disclosed
CN-101544892-B Method for synthesizing diaryl acetylene monomer liquid crystal SHIJIAZHUANG YONGSHENG HUATSING LIQUID CRYSTAL CO LTD 2012-10-03 CN disclosed
CN-101544892-A Method for synthesizing diaryl acetylene monomer liquid crystal SHIJIAZHUANG YONGSHENG HUATSIN 2009-09-30 CN disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
CN-100415730-C Benzofuran derivative and its prepn and use SHIJIAZHUANG YONGSHENG HUATSIN (CN) 2008-09-03 CN disclosed
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
CN-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 CN disclosed
EP-1534671-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-06-01 EP disclosed
US-6888032-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-05-03 US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 US disclosed
CN-1529692-A N-arylphenylacetamide derivatives and medicinal compositions containing same 大日本制药株式会社 2004-09-15 CN disclosed
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-15 US disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 EP disclosed
WO-2004013094-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-12 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 (4 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-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS PTGDR2 2315/4885PTGS2 488/4885NOS1 609/4885
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS PTGDR2 2341/4885PTGS2 511/4885NOS1 625/4885
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OXGR1, OCIAD1 PTGDR2 1521/4885PTGS2 2533/4885NOS1 903/4885
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 PTGDR2 714/4885PTGS2 168/4885NOS1 1072/4885

“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.