SCHEMBL4767573

SCHEMBL4767573

CC(CCOC(=O)c1cnn(-c2ccccc2)c1C)=C(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 6/20 0.54
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
HPGD P15428 3/20 0.52
LMNA P02545 1/20 0.50
SLC9A1 P19634 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
PTGS2 P35354 1/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL4763220 0.92 MAPK1 (0.53) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4762225 0.82 SMN1; SMN2 (0.55) MAPK1ALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1065124 0.81 ALDH1A1 (0.75) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4769499 0.77 NPSR1 (0.47) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL771490 0.76 RAB9A (0.71) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4763122 0.75 PLK1 (0.52) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL4767238 0.74 KMT2A (0.39) MAPK1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2544046 0.74 MAPK1 (1.00) MAPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4767563 0.72 LMNA (0.59) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27405 0.72 MAPK1 (0.78) MAPK1RAB9ANPC1SMN1; SMN2MAPT

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 MAPK1 1705/4885ALDH1A1 875/4885RAB9A 838/4885

“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.