SCHEMBL4770435

SCHEMBL4770435

CC(CCOC(=O)c1cc(-c2ccccc2)nn1C)=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
PHGDH O43175 11/20 0.45
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
PIN1 Q13526 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3664984 0.80 SMN1; SMN2 (0.68) SMN1; SMN2POLBPHGDHALDH1A1RECQL
SCHEMBL4767493 0.79 GRM5 (0.42) PHGDH
SCHEMBL4768880 0.76 POLB (0.40) SMN1; SMN2POLBRAB9A
SCHEMBL4770458 0.76 TP53 (0.39) ALDH1A1
SCHEMBL4298598 0.76 PHGDH (0.59) PHGDHPIN1
SCHEMBL4763339 0.75 ALDH1A1 (0.40) SMN1; SMN2POLBALDH1A1TDP1RAB9A
SCHEMBL4762390 0.75 TP53 (0.43) SMN1; SMN2POLBALDH1A1RECQLRAB9A
SCHEMBL4764990 0.74 POLB (0.34) SMN1; SMN2POLBRAB9A
SCHEMBL4766951 0.74 MAPT (0.43) SMN1; SMN2POLBALDH1A1TDP1RAB9A
SCHEMBL4767829 0.74 LDHA (0.50) SMN1; SMN2RAB9A

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 SMN1; SMN2 2115/4885POLB 3681/4885PHGDH 2394/4885

“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.