SCHEMBL4767398

SCHEMBL4767398

CCCCSc1ccc(C(=O)OCCC(C)=C(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.40
CXCR2 P25025 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 4/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
ESR1 P03372 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4767506 0.96 LMNA (0.42) CXCR1CXCR2L3MBTL1KDM4EHTT
SCHEMBL4763551 0.81 L3MBTL1 (0.46) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL4771394 0.81 LMNA (0.46) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL4770536 0.80 LMNA (0.48) L3MBTL1LMNAESR1MAPTHPGD
SCHEMBL4767243 0.80 LMNA (0.48) L3MBTL1LMNAESR1MAPTHPGD
SCHEMBL4763085 0.80 LMNA (0.48) L3MBTL1LMNAESR1MAPTHPGD
SCHEMBL4768796 0.79 HRH3 (0.38) L3MBTL1HTTLMNACYP1A2CYP2C19
SCHEMBL4767239 0.78 MAPT (0.43) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL4762510 0.76 MAPT (0.54) CXCR1CXCR2L3MBTL1LMNATSHR
SCHEMBL4771199 0.76 MAPT (0.42) CXCR1CXCR2L3MBTL1LMNAMAPT

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 CXCR1 3985/4885CXCR2 4077/4885L3MBTL1 17/4885

“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.