SCHEMBL5484722

SCHEMBL5484722

O=C(OCCCCC=C(F)F)c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.44
TBXAS1 P24557 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
RAB9A P51151 1/20 0.41
SLC9A1 P19634 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
PIN1 Q13526 5/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5935775 0.80 RAB9A (0.56) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4769039 0.80 HDAC3 (0.47) BCL2L1TBXAS1HDAC3HDAC4HDAC1
SCHEMBL4764999 0.79 HDAC3 (0.48) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1193047 0.78 SLC9A1 (0.50) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4771198 0.75 BCL2L1 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9456315 0.74 TDP1 (0.69) CNR2TDP1
SCHEMBL14803691 0.74 BCL2L1 (0.49) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9712645 0.73 TDP1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11088478 0.73 BCL2L1 (0.57) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4405770 0.73 BCL2L1 (0.57) BCL2L1HDAC3HDAC4HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCL2L1 83/4885TBXAS1 2432/4885HDAC3 4414/4885

“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.