SCHEMBL4767440

SCHEMBL4767440

CC(CCCCOC(=O)c1ccc2[nH]nnc2c1)=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MDH2 P40926 4/20 0.36
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
ESR1 P03372 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL29278219 0.82 ALDH1A1 (0.52) ESR1NPC1MAPTRAB9AAKR1C4
SCHEMBL8468092 0.82 ALDH1A1 (0.52) ESR1NPC1MAPTRAB9AAKR1C4
SCHEMBL29278218 0.82 ESR1 (0.51) ESR1NPC1MAPTRAB9AALDH1A1
SCHEMBL21221672 0.80 ALDH1A1 (0.49) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL4767258 0.78 MAPT (0.45) HDAC1HDAC2HDAC6ESR1TDP1
SCHEMBL4768975 0.77 HDAC1 (0.47) HDAC1HDAC2HDAC6MAPTRAB9A
SCHEMBL4733872 0.77 HDAC6 (0.37) HDAC1HDAC2HDAC6ESR1TDP1
SCHEMBL17548967 0.77 POLB (0.39) TDP1MAPTRAB9AALDH1A1
SCHEMBL1370518 0.77 HCRTR1 (0.52) ESR1NPC1MAPTRAB9AALDH1A1
SCHEMBL4781266 0.76 HDAC6 (0.39) HDAC1HDAC2HDAC6ESR1TDP1

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 HDAC1 3370/4885HDAC2 2283/4885HDAC6 3249/4885

“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.