SCHEMBL4767541

SCHEMBL4767541

CC(CCCCOC(=O)c1cnc(C2CC2)nc1C)=C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CSNK1D P48730 1/20 0.36
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4766127 0.92 FOS (0.41) FOSJUNNFKB1NFKB2RELA
SCHEMBL4768992 0.82 NPC1 (0.40) NFKB1NFKB2RELARAB9ANPSR1
SCHEMBL4762389 0.80 NPC1 (0.41) RAB9ANPSR1NPC1MAPTKDM4E
SCHEMBL4763396 0.80 HPGD (0.48) JUNNFKB1NFKB2RELARAB9A
SCHEMBL4772620 0.80 ALDH1A1 (0.43) FOSJUNNFKB1NFKB2RELA
SCHEMBL4763186 0.79 TSHR (0.36) NFKB1NFKB2RELARAB9ANPSR1
SCHEMBL4769017 0.79 KDM4E (0.36) RAB9ANPSR1NPC1MAPTKDM4E
SCHEMBL4765268 0.79 TSHR (0.40) NFKB1NFKB2RELARAB9ANPSR1
SCHEMBL4765479 0.78 LMNA (0.36) JUNNFKB1NFKB2RELARAB9A
SCHEMBL4770547 0.78 RAB9A (0.33) RAB9ANPSR1NPC1MAPTKDM4E

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 FOS 832/4885JUN 3357/4885NFKB1 1091/4885

“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.