SCHEMBL4769337

SCHEMBL4769337

CCCCCc1nc(C)c(C(=O)OCCCCC(C)=C(F)F)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 7/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP2C9 P11712 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4765331 0.97 TSHR (0.44) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4768805 0.93 TSHR (0.42) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4767560 0.93 TSHR (0.42) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4770660 0.92 TSHR (0.41) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4767308 0.90 TSHR (0.43) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4763597 0.89 TSHR (0.41) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4767390 0.85 ALDH1A1 (0.41) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4771473 0.82 NPC1 (0.45) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4762273 0.80 ALDH1A1 (0.43) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL4767766 0.80 SMN1; SMN2 (0.46) TSHRALDH1A1HPGDKDM4ENPC1

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 TSHR 2772/4885ALDH1A1 875/4885HPGD 3438/4885

“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.