SCHEMBL68108

SCHEMBL68108

Pc1c(-c2ccccc2)ccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN5 P54829 3/20 0.34
FEN1 P39748 2/20 0.34
PTPN2 P17706 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28152698 0.91 PTGS2 (0.39) PTGS2CHRNB2CHRNA4POLBCASP3
SCHEMBL27711469 0.83 PTGS2 (0.48) PTGS2CHRNB2CHRNA4POLBCASP3
SCHEMBL4476579 0.81 CHRNB2 (0.57) PTGS2CHRNB2CHRNA4POLBCASP3
SCHEMBL28816105 0.81 CHRNB2 (0.57) PTGS2CHRNB2CHRNA4POLBCASP3
SCHEMBL28483547 0.81 PTGS2 (0.42) PTGS2CHRNB2CHRNA4POLBCASP3
SCHEMBL287733 0.80 S1PR1 (0.38) PTGS2PSMB5
SCHEMBL28000625 0.80 ABCB1 (0.42) PTGS2CHRNB2CHRNA4PTPN5FEN1
SCHEMBL27820231 0.80 PTGS2 (0.37) PTGS2CHRNB2CHRNA4POLBCASP3
Phosphine SCHEMBL2085260 0.80 CHRNB2 (0.59) PTGS2CHRNB2CHRNA4POLBCASP3
SCHEMBL27995875 0.80 CHRNB2 (0.58) PTGS2CHRNB2CHRNA4POLBCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573946-A Complex compounds 庄信万丰股份有限公司 2017-04-19 CN claimed
CN-101253144-A Process for preparing aniline SYNGENTA PARTICIPATIONS AG (CH) 2008-08-27 CN claimed
CN-115260057-B Improved method for preparing functionalized cis-trans dicyanoethylene compound through desulfurization of 2, 5-dinitrothiophene 中国科学院大学 2023-07-25 CN disclosed
US-10870715-B2 Solid polyaluminoxane composition, olefin polymerization catalyst, olefin polymer production method and solid polyaluminoxane composition production method MITSUI CHEMICALS, INC. (JP) 2020-12-22 US disclosed
EP-3159333-B1 BENZO-FUSED THIOPHENE OR FURAN COMPOUNDS COMPRISING A TRIPHENYLENE GROUP UNIVERSAL DISPLAY CORP (US) 2020-04-22 EP disclosed
US-10374171-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-08-06 US disclosed
EP-3312200-B1 SOLID POLYALUMINOXANE COMPOSITION, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMER PRODUCTION METHOD AND SOLID POLYALUMINOXANE COMPOSITION PRODUCTION METHOD MITSUI CHEMICALS INC (JP) 2019-06-19 EP disclosed
EP-2305672-B1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING ß-SECRETASE-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2019-03-27 EP disclosed
US-10150823-B2 Solid polyaluminoxane composition, olefin polymerization catalyst, olefin polymer production method and solid polyaluminoxane composition production method MITSUI CHEMICALS, INC. (JP) 2018-12-11 US disclosed
EP-3121187-B1 METALLOCENE COMPLEX AND METHOD FOR MANUFACTURING OLEFIN POLYMER JAPAN POLYPROPYLENE CORP (JP) 2018-10-10 EP disclosed
US-20180261778-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-09-13 US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed
WO-2003084972-A1 RHODIUM COMPLEXES AND IRIDIUM COMPLEXES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-10-16 WO disclosed
WO-2003048225-A2 PROCESS FOR PRODUCING ARYL-ARYL COUPLED COMPOUNDS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-06-12 WO disclosed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2002081488-A1 RHODIUM AND IRIDIUM COMPLEXES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-17 WO disclosed
US-20020058844-A1 Process for producing retinol and intermediate compounds for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-16 US disclosed
EP-1199303-A1 Process for producing retinol and intermediate compounds for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-24 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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-20180261778-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TPR, EED, TEAD2 PTGS2 1723/4885CHRNB2 2793/4885CHRNA4 2353/4885
US-20020058844-A1 Process for producing retinol and intermediate compounds for producing the same ADH4, ADH1B, ADH7 PTGS2 3119/4885CHRNB2 3249/4885CHRNA4 2596/4885
US-10374171-B2 Organic electroluminescent materials and devices TPR, EED, TEAD2 PTGS2 1723/4885CHRNB2 2793/4885CHRNA4 2353/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH PTGS2 1819/4885CHRNB2 245/4885CHRNA4 207/4885

“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.