SCHEMBL920393

SCHEMBL920393

CC(C[O])CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL918779 0.88 CYP2C9 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL4785593 0.86 TSHR (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL920930 0.85 TSHR (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL3082123 0.80 SIGMAR1 (0.52) TSHRMEN1KMT2A
SCHEMBL598729 0.80 TSHR (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL10711841 0.78 TSHR (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL920394 0.78 TRPA1 (0.50) CYP2C9CYP2C19TSHRPOLBHPGD
SCHEMBL9821375 0.78 TSHR (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL919465 0.78 TSHR (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL918954 0.78 TSHR (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX ALDH1A1 3801/4885CYP1A2 3215/4885CYP2C9 3639/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALDH1A1 2743/4885CYP1A2 2625/4885CYP2C9 2100/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885CYP1A2 2061/4885CYP2C9 2708/4885

“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.