SCHEMBL616778

SCHEMBL616778

CCCCCCCCn1cc(C(C)(C)O)nn1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.67
GBA1 P04062 12/20 0.47
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL23081491 0.93 SMPD1 (0.57) SMPD1GBA1HRH4HRH3
SCHEMBL4224858 0.87 SMPD1 (0.66) SMPD1GBA1HRH4HRH3EPHX2
SCHEMBL20001411 0.86 SMPD1 (0.49) SMPD1GBA1HRH4HRH3
SCHEMBL29520868 0.84 SMPD1 (0.71) SMPD1GBA1HRH4HRH3
SCHEMBL17037201 0.82 SMPD1 (0.60) SMPD1GBA1HRH4HRH3
SCHEMBL25329590 0.80 SMPD1 (1.00) SMPD1GBA1HRH4HRH3EPHX2
SCHEMBL23064212 0.80 SMPD1 (1.00) SMPD1GBA1HRH4HRH3EPHX2
SCHEMBL23064217 0.80 SMPD1 (1.00) SMPD1GBA1HRH4HRH3EPHX2
SCHEMBL23064221 0.80 SMPD1 (1.00) SMPD1GBA1HRH4HRH3EPHX2
SCHEMBL23064315 0.80 SMPD1 (1.00) SMPD1GBA1HRH4HRH3EPHX2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527628-A 2011-11-04 JP claimed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US claimed
WO-2010005127-A2 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-01-14 WO claimed
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ISP INVESTMENTS LLC (US) 2018-10-09 US disclosed
EP-2405757-B1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2017-11-08 EP disclosed
US-9375705-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-06-28 US disclosed
US-9375705-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-06-28 US disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-20140302984-A1 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-10-09 US disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 WO disclosed
WO-2010005127-A2 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-01-14 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-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C SMPD1 4760/4885GBA1 4816/4885HRH4 207/4885
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof AOC3, AOC2, USP13 SMPD1 4819/4885GBA1 2468/4885HRH4 129/4885
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ADH5, ADH1A, ADH1C SMPD1 4760/4885GBA1 4816/4885HRH4 207/4885
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C SMPD1 4760/4885GBA1 4816/4885HRH4 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.