SCHEMBL4770690

SCHEMBL4770690

CCCCOc1nc(C)cc(C(=O)OCCC(C)=C(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.39
ATM Q13315 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 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
CYP2C19 P33261 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KMT2A Q03164 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
SCHEMBL4763670 0.81 ESR1 (0.39) ESR1ATMKDM4EGLAL3MBTL1
SCHEMBL4762455 0.77 NPC1 (0.40) ESR1ATMKDM4EL3MBTL1NPC1
SCHEMBL4767369 0.74 MEN1 (0.44) ATMKDM4EL3MBTL1NPC1POLB
SCHEMBL4762535 0.74 TSHR (0.40) ESR1KDM4EL3MBTL1NPC1POLB
SCHEMBL4766959 0.73 ALDH1A1 (0.41) ESR1KDM4ENPC1POLBRAB9A
SCHEMBL4769632 0.73 ALDH1A1 (0.41) ESR1KDM4ENPC1POLBRAB9A
SCHEMBL4772690 0.72 KDM4E (0.47) KDM4EL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL4765058 0.71 RAB9A (0.37) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL4765268 0.70 TSHR (0.40) ESR1ATMKDM4EL3MBTL1NPC1
SCHEMBL4763551 0.69 L3MBTL1 (0.46) ESR1L3MBTL1RAB9AALDH1A1TSHR

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 2358/4885KDM4E 1056/4885

“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.