SCHEMBL16979229

SCHEMBL16979229

CCCCCC1CCC(COc2ccc(C(=O)CC3CCC(C4CCC(CCC)CC4)CC3)c(C)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.32
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32
PDE4B Q07343 2/20 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
SCHEMBL16979203 0.95 SLC6A9 (0.34) SLC6A9PDE4B
SCHEMBL16979235 0.95 SLC6A9 (0.34) SLC6A9PDE4B
SCHEMBL16979177 0.92 CNR2 (0.33)
SCHEMBL16979214 0.92 CNR2 (0.33)
SCHEMBL16979208 0.91 SLC6A9 (0.33) SLC6A9PDE4B
SCHEMBL15395031 0.91 THRB (0.33)
SCHEMBL16979231 0.89 CHRM1 (0.36) SLC6A9ACHEHTR4PDE4B
SCHEMBL16979144 0.89 CHRM1 (0.34)
SCHEMBL15395134 0.89 CYP2C9 (0.33)
SCHEMBL16979210 0.89 CYP2C9 (0.33)

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 4280/4885ACHE 3860/4885HTR4 4184/4885

“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.