SCHEMBL10019084

SCHEMBL10019084

FC(F)(F)CCCCCC1c2ccccc2-c2ccccc2C1CCCCCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
BCHE P06276 1/20 0.32
GPR3 P46089 1/20 0.31

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
SCHEMBL10019069 0.76 HTR2A (0.32) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL6521749 0.73 HTR2A (0.48) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL27960897 0.73 BCHE (0.52) ACHEHTR2ABCHE
SCHEMBL28401764 0.67
SCHEMBL17022715 0.67 HTR2A (0.61) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL29873319 0.66 HTR2C (0.40) ACHEHTR2A
SCHEMBL31038094 0.65 ESR2 (0.42)
SCHEMBL31038158 0.65 ESR2 (0.42)
SCHEMBL28707214 0.63 TDP1 (0.58) ACHECHRM2
SCHEMBL27094597 0.63 TDP1 (0.58) ACHECHRM2

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-20120142855-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-06-07 US disclosed
WO-2011009522-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-01-27 WO 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-20120142855-A1 MATERIALS FOR ELECTRONIC DEVICES PEF1, PARG, EFNA1 ACHE 726/4885CHRM2 849/4885HTR1A 3539/4885

“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.