SCHEMBL4331637

SCHEMBL4331637

[CH]=Cc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.46
IKBKB O14920 1/20 0.39
KCNH2 Q12809 4/20 0.38
MAT2A P31153 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 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
SCHEMBL17374938 0.78 NFE2L2 (0.47) NFE2L2ABCG2KDM4ENPC1LMNA
SCHEMBL5254562 0.75 NFE2L2 (0.50) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL95708 0.71 ERN1 (0.50) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL21630930 0.71 NFE2L2 (0.46) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL725720 0.71 NFE2L2 (0.46) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL10994911 0.71 NFE2L2 (0.46) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL193995 0.71 NFE2L2 (0.46) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL129124 0.71 NFE2L2 (0.46) NFE2L2IKBKBKCNH2MAT2ACES2
SCHEMBL1818888 0.70 NFE2L2 (0.44) NFE2L2CES2CES1ERN1
SCHEMBL97270 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
WO-2007100161-A1 METHOD FOR PREFERENTIAL PRODUCTION OF GEOMETRIC ISOMERS AND ISOLATION METHOD NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-07 WO disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2006-10-26 US disclosed
US-7037880-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 US disclosed
EP-1489081-A1 SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2004-12-22 EP disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 EP disclosed
US-RE38188-E1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 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 (3 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-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL NFE2L2 291/4885IKBKB 3720/4885KCNH2 328/4885
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient VCAM1, SELL, ICAM1 NFE2L2 1463/4885IKBKB 317/4885KCNH2 3125/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL NFE2L2 299/4885IKBKB 3378/4885KCNH2 498/4885

“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.