SCHEMBL341989

SCHEMBL341989

Cc1cc(Cl)ccc1CCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
FFAR1 O14842 2/20 0.49
HSD17B10 Q99714 1/20 0.45
F13A1 P00488 3/20 0.44
MCL1 Q07820 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
Formic Acid SCHEMBL3831640 0.94 NPSR1 (0.46) NPSR1FFAR1HSD17B10F13A1MCL1
SCHEMBL10745896 0.91 NPSR1 (0.63) NPSR1FFAR1PPARGPPARDHDAC6
SCHEMBL341990 0.88 NPSR1 (0.50) NPSR1FFAR1F13A1MCL1PPARG
SCHEMBL1454248 0.82 TSHR (0.56) NPSR1FFAR1HSD17B10F13A1HDAC3
SCHEMBL4778926 0.82 ACLY (0.58) FFAR1ACLY
SCHEMBL27643611 0.82 NPSR1 (0.46) NPSR1FFAR1PPARGPPARDHDAC3
SCHEMBL23188852 0.82 GAA (0.47) HSD17B10HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL9083841 0.81 ACLY (0.57) FFAR1ACLY
SCHEMBL27638986 0.81 NPSR1 (0.53) NPSR1HSD17B10F13A1HDAC3MAPK1
SCHEMBL1760088 0.80 RXRA (0.51) NPSR1HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109283276-A Eight kinds of remaining gas chromatographies of phenoxy carboxylic acid herbicides in a kind of measurement corn 丁立平 2019-01-29 CN claimed
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP claimed
US-20160000076-A1 Fungicidal Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 US claimed
CN-103454338-B The method that in Liquid Chromatography-Tandem Mass Spectrometry/mass spectroscopy Simultaneously test cotton, Multiple Pesticides is residual THE INSPECTION AND QUARANTINE TECHNOLOGY CENTER, ZHEJIANG ENTRY-EXIT INSPECTION AND QUARANTINE BUREAU (CN) 2015-09-09 CN claimed
EP-2185563-B1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-08-19 EP claimed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
US-8993782-B2 Cis-alkoxyspirocyclic biphenyl-substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-03-31 US claimed
EP-2195290-B1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-03-11 EP claimed
EP-1771067-B1 SELECTIVE INSECTICIDES BASED ON SUBSTITUTED, CYCLIC KETO-ENOLS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2014-03-12 EP claimed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US claimed
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2006-07-20 US claimed
CN-1787994-A 2,4, 6-phenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2006-06-14 CN claimed
CN-1761396-A Selective herbicides based on substituted cyclic dicarbonyl compounds and safeners BAYER CROPSCIENCE AG (DE) 2006-04-19 CN claimed
CN-1761651-A 2, 4-dihalo-6- (C)2-C3-alkyl) phenyl substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2006-04-19 CN claimed
US-20050054535-A1 Selective herbicides based on substituted cyclic keto-enols and safeners BAYER CROPSCIENCE AG (DE) 2005-03-10 US claimed
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-13 US claimed
CN-1564660-A Selective herbicides based on substituted cyclic ketoenols and safeners BAYER CROPSCIENCE AG (DE) 2005-01-12 CN claimed
CN-1555221-A Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and safeners �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-12-15 CN claimed
CN-1543311-A Selective substituted aryl ketone and safener based herbicides 拜尔农作物科学股份公司 2004-11-03 CN claimed
US-20040132619-A1 Selective substituted aryl ketone and safener based herbicides BAYER CROPSCIENCE K.K. (JP) 2004-07-08 US 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 (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-20040132619-A1 Selective substituted aryl ketone and safener based herbicides CYP2W1, CYP4Z1, CYP2E1 NPSR1 2156/4885FFAR1 150/4885HSD17B10 48/4885
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners TARS2, TST, DDT NPSR1 4070/4885FFAR1 4494/4885HSD17B10 1542/4885
US-20050054535-A1 Selective herbicides based on substituted cyclic keto-enols and safeners DDT, LAGE3, KYAT1 NPSR1 4041/4885FFAR1 3459/4885HSD17B10 591/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 NPSR1 3784/4885FFAR1 1403/4885HSD17B10 341/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO NPSR1 3270/4885FFAR1 1305/4885HSD17B10 2112/4885

“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.