SCHEMBL4770458

SCHEMBL4770458

CC(CCOC(=O)c1nn(C)c(-c2ccccc2)c1Cl)=C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CYP19A1 P11511 3/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
SLC34A1 Q06495 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
GRM5 P41594 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK4 P11802 1/20 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
SCHEMBL4762390 0.83 TP53 (0.43) TP53ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4770435 0.76 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL4767493 0.76 GRM5 (0.42) TP53NPSR1GRM5
SCHEMBL4767563 0.72 LMNA (0.59) ALDH1A1TSHRKMT2A
SCHEMBL4763364 0.71 ALDH1A1 (0.42) TP53ALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL4769499 0.69 NPSR1 (0.47) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL10057637 0.69 ALDH1A1 (0.55) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4767829 0.68 LDHA (0.50) NPSR1MEN1KMT2A
SCHEMBL4763717 0.68 RAB9A (0.46) TP53ALDH1A1HPGDMEN1KMT2A
SCHEMBL4769471 0.68 CDC7 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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 TP53 1193/4885CYP19A1 711/4885ALDH1A1 875/4885

“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.