SCHEMBL17434664

SCHEMBL17434664

CC(OC(=O)OC(C)c1cc(Br)c(F)cc1Cl)c1cc(Br)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EIF4A3 P38919 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
LPAR1 Q92633 1/20 0.31
KDM1A O60341 2/20 0.30
KDM1B Q8NB78 2/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL17434667 0.89 LMNA (0.33) LMNAMAPTHPGDSMN1; SMN2NPC1
SCHEMBL9234339 0.81 LMNA (0.33) LMNAMAPTHPGDSMN1; SMN2EIF4A3
SCHEMBL47798 0.77 PDK1 (0.36) LMNAMAPTHPGDSMN1; SMN2RAB9A
SCHEMBL6695068 0.74 MDM2 (0.43) LPAR1
SCHEMBL31118290 0.72 LMNA (0.45) LMNAMAPTHPGDSMN1; SMN2NPC1
SCHEMBL9234352 0.71 LMNA (0.33) LMNAMAPTHPGDSMN1; SMN2EIF4A3
SCHEMBL9617780 0.68 NPC1 (0.36) MAPTNPC1RAB9AKDM1AKDM1B
SCHEMBL6690124 0.67 SMN1; SMN2 (0.36) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL28821875 0.66 CES2 (0.35) HPGDSMN1; SMN2NPC1RAB9AEIF4A3
SCHEMBL10556597 0.66 ALDH1A1 (0.41) LMNAMAPTHPGDSMN1; SMN2NPC1

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-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 LMNA 4169/4885MAPT 4308/4885HPGD 2381/4885

“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.