SCHEMBL201691

SCHEMBL201691

CCCCc1cc(CCCC)c([O])c(CCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGS2 P35354 3/20 0.43
CYP3A4 P08684 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TYR P14679 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL201071 0.94 PTGS2 (0.52) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL200575 0.94 PTGS2 (0.52) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL199836 0.91 PTGS2 (0.53) HTTPTGS2CYP3A4GPR84ALDH1A1
SCHEMBL201604 0.91 PTGS2 (0.53) HTTPTGS2CYP3A4GPR84ALDH1A1
SCHEMBL202873 0.91 PTGS2 (0.53) HTTPTGS2CYP3A4GPR84ALDH1A1
SCHEMBL199534 0.91 PTGS2 (0.53) HTTPTGS2CYP3A4GPR84ALDH1A1
SCHEMBL199704 0.91 HPGD (0.47) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL200892 0.83 PTGS2 (0.53) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL200317 0.83 PTGS2 (0.53) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL7299326 0.81 PTPN1 (0.36) HTTPTGS2CYP3A4GPR84ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-10230023-B2 Color converter BASF SE (DE) 2019-03-12 US disclosed
EP-2718395-B1 Novel illumination device comprising a colour converter BASF SE (DE) 2018-02-28 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20160284947-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2016-09-29 US disclosed
US-9406848-B2 Color converter BASF SE (DE) 2016-08-02 US disclosed
EP-2307507-B1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2016-04-20 EP disclosed
EP-1917311-B1 Rylene based multiple chromophores BASF SE (DE) 2015-09-23 EP disclosed
US-8921558-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2014-12-30 US disclosed
US-8802852-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2014-08-12 US disclosed
WO-2001097615-A9 HERBICIDAL AGENT BAYER CROPSCIENCE GMBH (DE) 2003-10-30 WO disclosed
EP-1345492-A1 HERBICIDE AGENT Aventis CropScience GmbH (DE) 2003-09-24 EP disclosed
EP-1303188-A2 HERBICIDAL AGENT Aventis CropScience GmbH (DE) 2003-04-23 EP disclosed
EP-1296558-A1 HERBICIDAL AGENTS Aventis CropScience GmbH (DE) 2003-04-02 EP disclosed
US-20020137634-A1 Herbicidal Compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-09-26 US disclosed
US-20020115569-A1 Herbicidal composition AVENTIS CROPSCIENCE GMBH (DE) 2002-08-22 US disclosed
US-20020091066-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2002-07-11 US disclosed
WO-2002049432-A1 HERBICIDE AGENT BAYER CROPSCIENCE GMBH (DE) 2002-06-27 WO disclosed
WO-2001097615-A2 HERBICIDAL AGENT BAYER CROPSCIENCE GMBH (DE) 2001-12-27 WO disclosed
WO-2001097614-A1 HERBICIDAL AGENTS BAYER CROPSCIENCE GMBH (DE) 2001-12-27 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 (5 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-20020137634-A1 Herbicidal Compositions CBR1, CBR3, CYCS HPGD 4043/4885NPC1 3865/4885MAPK1 1134/4885
US-20020091066-A1 Herbicidal compositions CBR1, CBR3, GLRA1 HPGD 3831/4885NPC1 1322/4885MAPK1 2056/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 HPGD 276/4885NPC1 3627/4885MAPK1 1089/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 HPGD 276/4885NPC1 3627/4885MAPK1 1089/4885
US-20020115569-A1 Herbicidal composition CBR1, DDT, CYP1A1 HPGD 2850/4885NPC1 3786/4885MAPK1 915/4885

“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.