SCHEMBL16979205

SCHEMBL16979205

CCCC1CCC(C2CCC(COc3ccc(C(=O)CC)c(C)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.35
PDE4B Q07343 7/20 0.34
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
SCN9A Q15858 1/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP15 Q460N3 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACACB O00763 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
SCHEMBL16979247 1.00 SLC6A9 (0.35) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16979208 0.93 SLC6A9 (0.33) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16979235 0.92 SLC6A9 (0.34) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16979231 0.90 CHRM1 (0.36) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL13289850 0.89 SLC6A9 (0.35) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16979172 0.89 SLC6A9 (0.35) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16979229 0.88 SLC6A9 (0.32) SLC6A9PDE4B
SCHEMBL16979230 0.88 CHRM1 (0.35) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16983558 0.87 SLC6A9 (0.34) SLC6A9PDE4BPDE4DPDE4APDE4C
SCHEMBL16983260 0.87 SLC6A9 (0.34) SLC6A9PDE4BPDE4DPDE4APDE4C

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-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 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-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE RCC2, RCC1, ROCK2 SLC6A9 4280/4885PDE4B 2577/4885PDE4D 2284/4885

“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.