SCHEMBL921432

SCHEMBL921432

[O]CCCCCc1ccco1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
CHRM2 P08172 1/20 0.44
EPHX2 P34913 3/20 0.42
ALOX5 P09917 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
HTR2B P41595 1/20 0.37
GLS O94925 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL920064 1.00 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL922272 0.98 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL919385 0.91
SCHEMBL7093157 0.89 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL7094868 0.87 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL467449 0.82
SCHEMBL11060991 0.82 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL24478868 0.81 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3389147 0.81 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3392080 0.81 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111367-A1 Sulfur-containing naphthalimide derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCE (CN) 2006-05-25 US claimed
EP-1626050-A1 SULFUR-CONTAINING NAPHTHOYLIMIDE DERIVATIVES East China University of Science and Technology (CN) 2006-02-15 EP claimed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-7541463-B2 Sulfur-containing naphthalimide derivatives EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2009-06-02 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES QIAN XUHONG 2008-09-25 US disclosed
US-20060111367-A1 Sulfur-containing naphthalimide derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCE (CN) 2006-05-25 US disclosed
EP-1626050-A1 SULFUR-CONTAINING NAPHTHOYLIMIDE DERIVATIVES East China University of Science and Technology (CN) 2006-02-15 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 (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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX ALDH1A1 3801/4885TDP1 3566/4885CYP3A4 4318/4885
US-20060111367-A1 Sulfur-containing naphthalimide derivatives HCCS, SQOR, MKI67 ALDH1A1 1602/4885TDP1 4749/4885CYP3A4 327/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALDH1A1 2743/4885TDP1 4034/4885CYP3A4 3076/4885
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES HCCS, SQOR, MKI67 ALDH1A1 1602/4885TDP1 4749/4885CYP3A4 327/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885TDP1 3862/4885CYP3A4 3032/4885

“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.