SCHEMBL16559079

SCHEMBL16559079

CCN(CC)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ALOX5 P09917 2/20 0.40
ADRA1B P35368 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ACHE P22303 1/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 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
SCHEMBL20900599 1.00 CYP1A2 (0.42) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL12018411 1.00 CYP1A2 (0.42) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL8040461 0.97 CYP1A2 (0.39) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL26714515 0.95 CYP1A2 (0.42) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL9256109 0.92 OPRM1 (0.41) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL16577641 0.90 CYP1A2 (0.39) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL16577647 0.88 CYP1A2 (0.38) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL23482120 0.86 OPRM1 (0.41) CYP1A2ALOX5ADRA1BADH1CADH1A
SCHEMBL24317286 0.86 CYP1A2 (0.41) CYP1A2ALOX5ADH1CADH1AACHE
SCHEMBL26503755 0.86 ALOX5 (0.39) CYP1A2ALOX5ADRA1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031974-A Ink for ink jet printing and electroluminescent device 广东聚华印刷显示技术有限公司 2022-02-11 CN claimed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
CN-114031974-B Ink-jet printing ink and electroluminescent device 广东聚华印刷显示技术有限公司 2023-09-26 CN disclosed
CN-114031974-A Ink for ink jet printing and electroluminescent device 广东聚华印刷显示技术有限公司 2022-02-11 CN disclosed
US-10261043-B2 Analyte sensor PARKER-HANNIFIN CORPORATION (US) 2019-04-16 US disclosed
US-20180066000-A1 Metal Complexes and Electroluminescent Devices Comprising These Metal Complexes MERCK PATENT GMBH (DE) 2018-03-08 US disclosed
US-20170365786-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE METAL COMPLEX AND TO ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 US disclosed
US-20170365785-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE SALT, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 US disclosed
US-9815940-B2 Polymers containing substituted triarylamine units and electroluminescent devices containing said polymers MERCK PATENT GMBH (DE) 2017-11-14 US disclosed
US-20170146478-A1 ANALYTE SENSOR PARKER INTANGIBLES LLC 2017-05-25 US disclosed
US-20150069303-A1 POLYMERS CONTAINING SUBSTITUTED TRIARYLAMINE UNITS AND ELECTROLUMINESCENT DEVICES CONTAINING SAID POLYMERS MERCK PATENT GMBH (DE) 2015-03-12 US 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-20170146478-A1 ANALYTE SENSOR HAO2, PRDX1, MPO CYP1A2 1912/4885ALOX5 1604/4885ADRA1B 4454/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 CYP1A2 1052/4885ALOX5 600/4885ADRA1B 26/4885
US-20180066000-A1 Metal Complexes and Electroluminescent Devices Comprising These Metal Complexes OCIAD2, OCIAD1, ICOSLG CYP1A2 1456/4885ALOX5 416/4885ADRA1B 1851/4885
US-10261043-B2 Analyte sensor HAO2, PRDX1, MPO CYP1A2 1912/4885ALOX5 1604/4885ADRA1B 4454/4885

“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.