SCHEMBL906419

SCHEMBL906419

CC=CC(=O)Oc1c(CCCCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 2/20 0.37
ESR1 P03372 1/20 0.37
MGLL Q99685 1/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
CYP19A1 P11511 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL874774 1.00 TDP1 (0.44) TDP1ALDH1A1ALOX5ESR1MGLL
SCHEMBL7198081 0.88 TDP1 (0.39) TDP1ALDH1A1MEN1LMNAPOLB
SCHEMBL7198085 0.88 TDP1 (0.39) TDP1ALDH1A1MEN1LMNAPOLB
SCHEMBL13186231 0.87 TDP1 (0.44) TDP1ALDH1A1MEN1LMNAPOLB
SCHEMBL906661 0.84 THRB (0.44) ALDH1A1ESR1THRATHRB
SCHEMBL906659 0.84 THRB (0.44) ALDH1A1ESR1THRATHRB
SCHEMBL11558056 0.83 ESR1 (0.38) TDP1ALDH1A1ESR1MGLLTHRA
SCHEMBL11558060 0.83 ESR1 (0.38) TDP1ALDH1A1ESR1MGLLTHRA
SCHEMBL3672499 0.82 ALDH1A1 (0.46) TDP1ALDH1A1ALOX5ESR1MGLL
SCHEMBL676763 0.81 TDP1 (0.53) TDP1ALDH1A1ESR1MGLLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230413808-A1 Bioactive complexes CERADIS PATENT B.V. (NL) 2023-12-28 US disclosed
US-10899932-B2 Non-amphoteric, quaternisable and water-soluble polymers for modifying the surface charge of solid particles BASF SE (DE) 2021-01-26 US disclosed
US-20180334569-A9 NON-AMPHOTERIC, QUATERNISABLE AND WATER-SOLUBLE POLYMERS FOR MODIFYING THE SURFACE CHARGE OF SOLID PARTICLES BASF SE (DE) 2018-11-22 US disclosed
US-20180118951-A1 NON-AMPHOTERIC, QUATERNISABLE AND WATER-SOLUBLE POLYMERS FOR MODIFYING THE SURFACE CHARGE OF SOLID PARTICLES BASF SE (DE) 2018-05-03 US disclosed
US-20180007908-A1 Pesticidal Mixtures BASF SE (DE) 2018-01-11 US disclosed
CN-105722833-A Fungicidal pyrimidine compounds 巴斯夫欧洲公司 2016-06-29 CN disclosed
US-9247744-B2 Ternary pesticidal mixtures BASF SE (DE) 2016-02-02 US disclosed
US-20160007609-A1 Pesticidal Mixtures BASF SE (DE) 2016-01-14 US disclosed
US-8999893-B2 Stabilized oil-in-water emulsions including meptyl dinocap DOW AGROSCIENCES LLC (US) 2015-04-07 US disclosed
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES BASF SE (DE) 2015-03-19 US disclosed
US-4775693-A Method for controlling insects and acarina with the use of cinnamamide compounds AMERICAN CYANAMID COMPANY (US) 1988-10-04 US disclosed
US-4766113-A METAL CHELATE OF 8-HYDROXY QUINOLINE AND ALKYLOENZENE SULFONIC ACID CHAPMAN CHEMICAL COMPANY (US) 1988-08-23 US disclosed
EP-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP disclosed
US-4727155-A CINNAMAMIDES AMERICAN CYANAMID COMPANY (US) 1988-02-23 US disclosed
EP-0228564-A2 Novel insecticidal diacylhydrazine compounds AMERICAN CYANAMID COMPANY (US) 1987-07-15 EP disclosed
US-4659857-A INSECTICIDES AND ACARICIDES EFFECTIVE FOR PROTECTING CORPS; STOMACH AND CONTACT POISONS AMERICAN CYANAMID COMPANY (US) 1987-04-21 US disclosed
EP-0210446-A2 Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-02-04 EP disclosed
US-4639268-A Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-01-27 US disclosed
US-4602011-A METAL CHELATE OF 8-HYDROXY QUINOLINE AND AN ALKYL BENZENE SULFONIC ACID CHAPMAN CHEMICAL COMPANY (US) 1986-07-22 US disclosed
US-4221801-A 2-CYANO-5-NITRO-THIAZOLE DUPHAR INTERNATIONAL RESEARCH (NL) 1980-09-09 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 (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-20160007609-A1 Pesticidal Mixtures PTMS, THOP1, MLN TDP1 3137/4885ALDH1A1 4239/4885ALOX5 3519/4885
US-20180007908-A1 Pesticidal Mixtures PTMS, THOP1, MLN TDP1 3137/4885ALDH1A1 4239/4885ALOX5 3519/4885
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES AADAC, AS3MT, DDT TDP1 2003/4885ALDH1A1 2410/4885ALOX5 3881/4885

“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.