SCHEMBL4763670

SCHEMBL4763670

CCCCOc1cc(C(=O)OCCC(C)=C(F)F)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.39
ATM Q13315 1/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL4770690 0.81 ESR1 (0.39) ESR1ATMTSHRKDM4ECYP1A2
SCHEMBL4766951 0.74 MAPT (0.43) ATMKDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL4763551 0.74 L3MBTL1 (0.46) ESR1TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL4762455 0.72 NPC1 (0.40) ESR1ATMTSHRKDM4ESMN1; SMN2
SCHEMBL4771394 0.71 LMNA (0.46) ESR1TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL4763085 0.70 LMNA (0.48) ESR1ALDH1A1MAPTHPGDLMNA
SCHEMBL4770536 0.70 LMNA (0.48) ESR1ALDH1A1MAPTHPGDLMNA
SCHEMBL4767243 0.70 LMNA (0.48) ESR1ALDH1A1MAPTHPGDLMNA
SCHEMBL4762535 0.69 TSHR (0.40) ESR1TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4767254 0.69 RAB9A (0.38) ATMTSHRKDM4ESMN1; SMN2ALDH1A1

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 ESR1 2953/4885ATM 2358/4885TSHR 2772/4885

“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.