SCHEMBL4767656

SCHEMBL4767656

COCCOc1ncc(C(=O)O)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 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
SCHEMBL4770846 0.86 RAB9A (0.53) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4765629 0.84 NPC1 (0.63) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4771466 0.84 ALDH1A1 (0.48) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4771388 0.83 KDM4E (0.58) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4763603 0.83 RAB9A (0.48) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4767378 0.82 HPGD (0.51) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4769519 0.82 KDM4E (0.56) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4770721 0.82 KDM4E (0.56) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4772706 0.82 KDM4E (0.56) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL4763537 0.82 HPGD (0.54) HPGDALDH1A1KDM4ERAB9ANPC1

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
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM HPGD 3438/4885ALDH1A1 875/4885KDM4E 1056/4885

“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.