SCHEMBL4767378

SCHEMBL4767378

CCOc1ncc(C(=O)O)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
MAPK8 P45983 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40

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 0.87 RAB9A (0.53) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4765629 0.85 NPC1 (0.63) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4769593 0.85 MAPT (0.56) RAB9AKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL4771388 0.84 KDM4E (0.58) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4772706 0.83 KDM4E (0.56) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4770721 0.83 KDM4E (0.56) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4769519 0.83 KDM4E (0.56) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28777605 0.83 MAPK8 (0.45) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4763537 0.82 HPGD (0.54) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4767656 0.82 HPGD (0.47) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1

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 3438/4885RAB9A 838/4885KDM4E 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.