SCHEMBL4768796

SCHEMBL4768796

CC(CCOC(=O)c1ccc(Sc2ccccc2)nc1)=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
BRAF P15056 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL4767829 0.80 LDHA (0.50) LMNAMAPT
SCHEMBL4767398 0.79 CXCR1 (0.40) ALDH1A1HPGDLMNAMAPTCYP1A2
SCHEMBL4763364 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTGAAPOLB
SCHEMBL4762374 0.78 GRN (0.45) HRH3LMNAMAPT
SCHEMBL4763338 0.78 MAPT (0.45) ALDH1A1HPGDLMNAMAPTPOLB
SCHEMBL4767563 0.77 LMNA (0.59) ALDH1A1LMNATDP1
SCHEMBL4767506 0.77 LMNA (0.42) ALDH1A1HPGDLMNAMAPTCYP1A2
SCHEMBL4771199 0.77 MAPT (0.42) LMNAMAPTPOLBL3MBTL1
SCHEMBL4767324 0.76 RXRA (0.40) ALDH1A1HPGDLMNAMAPTL3MBTL1
SCHEMBL8806506 0.76 MAPK1 (0.54) HRH3ALDH1A1HPGDMAPTGAA

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 HRH3 4312/4885ALDH1A1 875/4885HPGD 3438/4885

“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.