SCHEMBL3026867

SCHEMBL3026867

CCOC(=O)c1cn(-c2cc(SCC(F)(F)F)c(C)cc2F)nc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
P2RX7 Q99572 3/20 0.36
KMT2A Q03164 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
KLK7 P49862 1/20 0.33
STAT3 P40763 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL3016633 0.88 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10P2RX7
SCHEMBL3029297 0.81 P2RX7 (0.33) ALDH1A1KDM4EHPGDHSD17B10P2RX7
SCHEMBL3021431 0.80 SMN1; SMN2 (0.37) ALDH1A1KDM4EKMT2AJMJD6NPC1
SCHEMBL3027169 0.74 LMNA (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL16386042 0.74 CMA1 (0.42) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3024261 0.72 SMN1; SMN2 (0.34) ALDH1A1KDM4EKMT2AJMJD6NPC1
SCHEMBL3030386 0.72 KDM4E (0.33) ALDH1A1KDM4ERAB9AGAA
SCHEMBL3021436 0.71
SCHEMBL3026869 0.71
SCHEMBL3122877 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802713-B2 3-alkoxy-1-phenylpyrazole derivatives and pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-12 US disclosed
EP-2202226-B1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2013-06-05 EP disclosed
US-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202226-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry CO., LTD. (JP) 2010-06-30 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 (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-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES HCN3, HCN4, KCNH3 ALDH1A1 1571/4885KDM4E 350/4885HPGD 3170/4885

“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.