SCHEMBL16979239

SCHEMBL16979239

CCCC1CCC(C2CCC(C3CCC(CCc4ccc(C(=O)CC)c(C)c4F)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
TLR4 O00206 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33

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
SCHEMBL16979202 1.00 CYP2C9 (0.34) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL16979175 0.96 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTHTR2A
SCHEMBL16979234 0.92 CYP2C9 (0.34) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL13289848 0.88 CYP2C9 (0.34) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL16983256 0.86 CYP2C9 (0.33) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL16983557 0.86 CYP2C9 (0.33) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL16983515 0.85 CYP2C9 (0.33) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL16983269 0.85 CYP2C9 (0.33) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL16979151 0.83 CNR2 (0.36) CYP2C9MAPT
SCHEMBL16979207 0.83 CYP2C9 (0.40) CYP2C9TLR4ALDH1A1LMNAMAPT

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 CYP2C9 1928/4885TLR4 3606/4885ALDH1A1 127/4885

“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.