SCHEMBL3217679

SCHEMBL3217679

NCCCCCCc1ccco1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
MAOA P21397 1/20 0.43
HRH1 P35367 5/20 0.40
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38

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
SCHEMBL3839583 0.98 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL1025242 0.91
SCHEMBL7093157 0.89 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL7094868 0.87 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL592514 0.82
SCHEMBL11060991 0.82 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15USP2
Oxalic Acid SCHEMBL27277099 0.81 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3392080 0.81 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3389147 0.81 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3387052 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO 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-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

“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.