SCHEMBL12440735

SCHEMBL12440735

CCCc1cc(C)sc1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HMGCR P04035 1/20 0.32
IKBKB O14920 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL15132095 0.86 TYR (0.38) NOS2ALDH1A1HTTNPSR1
SCHEMBL17790477 0.85 ALOX5 (0.39) HTT
SCHEMBL4104732 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL85803 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL4104503 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL13080246 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL13579890 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL4104512 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL13080250 0.83 ALOX5 (0.42) ALDH1A1HTT
SCHEMBL16252154 0.83 ALOX5 (0.42) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150218001-A1 PREPARATION METHOD OF HETEROATOM DOPED MULTIFUNCTIONAL CARBON QUANTUM DOT AND APPLICATION THEREOF Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2015-08-06 US disclosed
US-20130217734-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO., LTD. (JP) 2013-08-22 US disclosed
US-8404726-B2 Activating agent for peroxisome proliferator activated receptor δ NIPPON CHEMIPHAR CO. LTD. (JP) 2013-03-26 US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 US disclosed
US-7648813-B2 forming a pattern image by a charged developing agent on an image carrier; disposing a transfer object medium having an electrode layer on the opposite side facing the image carrier oppositely to the image carrier, forming an electric field between image carrier and electrode, transferring pattern image KABUSHIKI KAISHA TOSHIBA (JP) 2010-01-19 US disclosed
US-20090298896-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO. LTD 2009-12-03 US disclosed
US-20090123855-A1 PATTERN FORMING METHOD KABUSHIKI KAISHA TOSHIBA (JP) 2009-05-14 US disclosed
US-20080299669-A1 Methods and devices for analytical sensing of biogenic amines SOUTH CAROLINA, UNIVERSITY OF 2008-12-04 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-20090298896-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA PPARA, PPARG, PPARD NOS3 2947/4885NOS1 2950/4885NOS2 2961/4885
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 NOS3 3964/4885NOS1 2932/4885NOS2 3508/4885
US-20150218001-A1 PREPARATION METHOD OF HETEROATOM DOPED MULTIFUNCTIONAL CARBON QUANTUM DOT AND APPLICATION THEREOF HCCS, CD2, CDA NOS3 1303/4885NOS1 1963/4885NOS2 1037/4885
US-20130217734-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA PPARA, PPARG, PPARD NOS3 2947/4885NOS1 2950/4885NOS2 2961/4885

“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.