SCHEMBL4481186

SCHEMBL4481186

CCc1cc(C)cc(CC)c1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA2 Q15596 1/20 0.33
NOS1 P29475 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL8635370 0.87 KMT2A (0.39) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL31200696 0.84 ALDH1A1 (0.43) RXFP1ALDH1A1ALOX15ALOX12GAA
SCHEMBL21691999 0.80 HSPA5 (0.48) ALDH1A1HSPA5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8629559 0.78 HSPA5 (0.38) KMT2AALDH1A1GAAMAPK1GRIN2D
SCHEMBL1262846 0.77 KMT2A (0.36) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL13683276 0.76 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10477405 0.76 PTPN1 (0.39) KMT2AALDH1A1ALOX15ALOX12CYP2C9
SCHEMBL3658093 0.76 GABRA1 (0.39) HPGDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20670040 0.75 KMT2A (0.31) KMT2ARXFP1ALDH1A1GAAHPGD
SCHEMBL8082167 0.74 NOS3 (0.38) KMT2ANOS3NOS2RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218153-A A kind of preparation method of midbody compound 2,6- diethyl -4- methylbenzene malonate 江苏丰山集团股份有限公司 2019-09-10 CN claimed
US-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
CN-110950778-A Process and catalyst system for preparing aromatic malononitrile 安徽省化工研究院 2020-04-03 CN disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 US disclosed
CN-110218153-A A kind of preparation method of midbody compound 2,6- diethyl -4- methylbenzene malonate 江苏丰山集团股份有限公司 2019-09-10 CN disclosed
CN-110218153-A A kind of preparation method of midbody compound 2,6- diethyl -4- methylbenzene malonate 江苏丰山集团股份有限公司 2019-09-10 CN disclosed
US-7605111-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2009-10-20 US disclosed
US-7459414-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-12-02 US disclosed
CN-1272324-C Novel herbicides SYNGENTA PARTICIPATIONS AG (CH) 2006-08-30 CN disclosed
US-20050187110-A1 mixtures with plant safening agents used for selectively controlling weeds and grasses in crops of useful plants MAETZKE THOMAS (CH) 2005-08-25 US disclosed
US-20050164883-A1 agronomically tolerable salts, isomers and enantiomers of those compounds, are suitable for use as herbicides MAETZKE THOMAS (CH) 2005-07-28 US disclosed
US-6894005-B1 Heterocyclic compound containing phenyl groups; postemergence herbicides SYNGENTA CROP PROTECTION, INC. (US) 2005-05-17 US disclosed
EP-1210333-B1 p-Tolyl-heterocycles as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2004-11-17 EP disclosed
CN-1514829-A Novel herbicides �����ɷ� 2004-07-21 CN disclosed
EP-1185506-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARATION OF HERBICIDES Syngenta Participations AG (CH) 2002-03-13 EP disclosed
WO-2000078712-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARTION OF HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
EP-0718291-B1 Method for the preparation of triazole compounds CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-07-08 EP disclosed
US-5567825-A Method for the preparation of a triazole compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-10-22 US disclosed
EP-0718291-A1 Method for the preparation of triazole compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-06-26 EP 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 KMT2A 1275/4885NOS3 4314/4885NOS2 3697/4885
US-20050164883-A1 agronomically tolerable salts, isomers and enantiomers of those compounds, are suitable for use as herbicides DDT, SULT2A1, GSTA1 KMT2A 650/4885NOS3 2679/4885NOS2 2280/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 KMT2A 1275/4885NOS3 4314/4885NOS2 3697/4885
US-20050187110-A1 mixtures with plant safening agents used for selectively controlling weeds and grasses in crops of useful plants PIN1, GMDS, DDT KMT2A 1469/4885NOS3 2883/4885NOS2 2777/4885

“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.