SCHEMBL676763

SCHEMBL676763

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.33
GRM8 O00222 1/20 0.32
GRM4 Q14833 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL20451 1.00 TDP1 (0.53) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL29608839 1.00 TDP1 (0.53) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL27705250 0.99 TDP1 (0.53) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL5245639 0.96 TDP1 (0.49) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL12676246 0.90 TDP1 (0.41) TDP1ESR1ALDH1A1MEN1LMNA
SCHEMBL9126412 0.88 TDP1 (0.44) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1852433 0.88 TDP1 (0.47) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1852435 0.88 TDP1 (0.47) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL11221680 0.85 TDP1 (0.56) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1855877 0.85 ESR1 (0.37) TDP1ESR1ALDH1A1MGLLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110632218-B Method for detecting residual quantity of meptyldinocap and metabolites thereof in tobacco 云南省烟草农业科学研究院 2022-03-15 CN claimed
EP-2453750-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES Bayer CropScience AG (DE) 2012-05-23 EP claimed
US-7934888-B2 Marine anti-foulant system and methods for using same VIV SUPPRESSION, INC. (US) 2011-05-03 US claimed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 WO claimed
US-20090185867-A1 MARINE ANTI-FOULANT SYSTEM AND METHODS FOR USING SAME ASSET INTEGRITY MANAGEMENT SOLUTIONS, L.L.C., D/B/A AIMS INTERNATIONAL 2009-07-23 US claimed
US-5656422-A HYDRATING A DRIED ENZYME TO PRODUCE HYDRATED ENZYME, CONTACTING WITH SAMPLE TO DETECT PRESENCE OF PHENOLIC PRODUCTS FORMED BY CLEAVAGE OF PHENOLIC ETHER BOND BY THE ENZYME IDAHO RESEARCH FOUNDATION, INC. (US) 1997-08-12 US claimed
EP-0449975-B1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1997-04-23 EP claimed
US-5441743-A In thermoplastic or thermosetting binder BATTELLE MEMORIAL INSTITUTE (US) 1995-08-15 US claimed
CN-110632218-B Method for detecting residual quantity of meptyldinocap and metabolites thereof in tobacco 云南省烟草农业科学研究院 2022-03-15 CN disclosed
US-10829636-B2 Antifouling composition BASF SE (DE) 2020-11-10 US disclosed
US-20180194941-A1 ANTIFOULING COMPOSITION BASF CORPORATION 2018-07-12 US disclosed
US-20180187008-A1 ANTIFOULING COMPOSITION BASF CORPORATION 2018-07-05 US disclosed
US-9918474-B2 Agents for combating plant pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-20 US disclosed
US-20170188582-A1 Agents for Combating Plant Pests BAYER AKTIENGESELLSCHAFT (DE) 2017-07-06 US disclosed
US-4025651-A N-substituted-aminoacetamides used as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-05-24 US disclosed
US-3974166-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1976-08-10 US disclosed
US-3946040-A JUVENILE HORMONE ACTIVITY, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-03-23 US disclosed
US-3932448-A FUNGICIDES, MITICIDES E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 US disclosed
US-3932632-A Insecticidal compositions containing an organophosphorus compound and a thiolcarbamate BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed
US-3930837-A 3-CHLORO-5-ACETAMIDAISOQUINOLINE AS A HERBICIDE ICI AUSTRALIA LIMITED (AU) 1976-01-06 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 (1 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-20170188582-A1 Agents for Combating Plant Pests DDT, CYP51A1, AADAC TDP1 3002/4885ESR1 4834/4885ALDH1A1 1600/4885

“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.