SCHEMBL17813815

SCHEMBL17813815

Cc1cc(C(F)(F)F)c(-c2cc(F)c(F)c(F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CYP11B2 P19099 9/20 0.37
CYP11B1 P15538 6/20 0.37
VRK1 Q99986 1/20 0.37
RPS6KA3 P51812 1/20 0.32
TRPA1 O75762 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL17808307 0.82 PDE3B (0.36) PDE3BPDE3AALOX5APFEN1CYP11B2
SCHEMBL16455703 0.80 UHRF1 (0.41) ALOX5APFEN1VRK1RPS6KA3
SCHEMBL17813809 0.79 POLB (0.47) PDE3BPDE3AALOX5APFEN1CYP11B2
SCHEMBL22795814 0.77 PDE3B (0.51) PDE3BPDE3ASLC22A12
SCHEMBL16454320 0.77 CYP1A2 (0.39) PDE3BPDE3ACYP11B2CYP11B1SLC22A12
SCHEMBL16455583 0.77 MAPT (0.46) CYP11B2SLC22A12
SCHEMBL16455742 0.76 CYP11B2 (0.48) PDE3BPDE3ACYP11B2TRPA1SLC22A12
SCHEMBL25787773 0.75 HPGD (0.37) ALOX5APFEN1CYP11B2CYP11B1SLC22A12
SCHEMBL16454400 0.75 KDM4E (0.46) PDE3BPDE3A
SCHEMBL16455579 0.75 HSD11B1 (0.42) PDE3BPDE3AALOX5APFEN1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 PDE3B 698/4885PDE3A 543/4885ALOX5AP 2408/4885

“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.