SCHEMBL4769477

SCHEMBL4769477

CC(CCCCOC(=O)c1cn(C)c2ccccc12)=C(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
RASGRP1 O95267 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 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
SCHEMBL28991624 0.79 NR4A2 (0.66) NR4A2ALDH1A1LMNANPSR1MITF
SCHEMBL6379635 0.76 NR4A2 (0.69) NR4A2ALDH1A1LMNANPSR1MITF
SCHEMBL4767304 0.75 NR4A2 (0.52) NR4A2ALDH1A1LMNAKMT2AHDAC1
SCHEMBL4769492 0.74 TSHR (0.41) ALDH1A1LMNAMAPTKMT2AHDAC1
SCHEMBL4763828 0.74 MCL1 (0.47) MAPTHDAC1HDAC2SMN1; SMN2
SCHEMBL4763633 0.74 NPC1 (0.45) ALDH1A1NPSR1MAPTKMT2APOLB
SCHEMBL31621504 0.71 NR4A2 (1.00) NR4A2ALDH1A1LMNANPSR1MITF
SCHEMBL1092934 0.71 NR4A2 (1.00) NR4A2ALDH1A1LMNANPSR1MITF
SCHEMBL4770653 0.71 HIF1A (0.41) MAPK1
SCHEMBL4763784 0.71 KDM4E (0.61) ALDH1A1LMNAMAPTKMT2AHTT

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 NR4A2 2758/4885ALDH1A1 875/4885LMNA 4259/4885

“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.