SCHEMBL350808

SCHEMBL350808

CCCCC(CCC)c1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
POLB P06746 1/20 0.30
NR1I2 O75469 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
BDKRB2 P30411 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
SCHEMBL817103 0.96 CNR2 (0.33) CNR2CYSLTR2CYSLTR1POLBNR1I2
SCHEMBL557642 0.95 NR1I2 (0.36) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL557339 0.93 NR1I2 (0.38) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL198761 0.93 NR1I2 (0.38) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL3218621 0.93 NR1I2 (0.38) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL983291 0.93 NR1I2 (0.38) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL982466 0.93 NR1I2 (0.38) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL815962 0.93 NR1I2 (0.36) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1
SCHEMBL815762 0.93 ESR1 (0.32)
SCHEMBL980261 0.91 NR1I2 (0.39) CNR2CYSLTR2CYSLTR1NR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103391942-B Novel heterocyclic compound, method for producing intermediate thereof, and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-11-25 CN claimed
CN-103724215-A Novel derivative of 2-amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol and application of novel derivative ZHENJIANG SHENGAN PHARMACEUTICAL CO LTD 2014-04-16 CN claimed
US-8350256-B2 Organic semiconductor compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-08 US claimed
CN-101151331-B Cyanine compound, optical filter and optical recording material ADEKA CORP 2012-10-31 CN claimed
CN-1911898-B Triarylamine-based compound, method of preparing the same, and organic light emitting device using the triarylamine-based compound SAMSUNG MOBILE DISPLAY CO LTD 2012-05-02 CN claimed
US-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-19 US claimed
CN-102317243-A Cleaning compositions and methods HONEYWELL INT INC 2012-01-11 CN claimed
CN-101031552-B Optically active 4, 4-disubstituted oxazolidine derivative and process for producing the same SANKYO CO 2010-11-10 CN claimed
CN-100569827-C The poly-indenofluorene that is used for the aryl replacement of organic electroluminescence device MERCK PATENT GMBH (DE) 2009-12-16 CN claimed
CN-101031552-A Optically active 4, 4-disubstituted * oxazolidine derivatives and process for preparing same SANKYO CO (JP) 2007-09-05 CN claimed
CN-1293876-C New application of 1,3-propylene glycol derivative NOVARTIS AG (CH) 2007-01-10 CN claimed
CN-1263825-C Liquid crystal orientation agent, formation method of liquid crystal orientation membrane and liquid crystal display unit JSR CORP (JP) 2006-07-12 CN claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
CN-1711301-A Aryl-substituted polyindenofluorenes for use in organic electroluminiscent devices COVION ORGANIC SEMICONDUCTORS (DE) 2005-12-21 CN claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
CN-1177258-C Photo-thermo-sensitive imaging material ��ʿ��Ƭ��ʽ���� 2004-11-24 CN claimed
CN-1515253-A New application of 1,3-propylene glycol derivative ��˹��ŵ�� 2004-07-28 CN claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
CN-1062540-A Organic phosphites suitable as stabilizers and polymer compositions containing them HIMONT INC (US) 1992-07-08 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CNR2 3732/4885CYSLTR2 797/4885CYSLTR1 623/4885
US-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS TST, TPST2, BHMT2 CNR2 3911/4885CYSLTR2 1097/4885CYSLTR1 2576/4885

“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.