SCHEMBL16983263

SCHEMBL16983263

CCCC1CCC(C2CCC(c3ccc(C(=O)CC)c(C(F)(F)F)c3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRL1 P41146 9/20 0.34
HSD17B2 P37059 1/20 0.33
RBP4 P02753 4/20 0.33
TLR4 O00206 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 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
SCHEMBL16983248 0.96 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL16983392 0.92 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL19441883 0.88 GAA (0.36) CYP2C9ALDH1A1MAPTRBP4MEN1
SCHEMBL16983449 0.88 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL19441859 0.88 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL16983506 0.88 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL13289843 0.86 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL13289917 0.86 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL16979207 0.86 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL13289837 0.86 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1

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 1928/4885ALDH1A1 127/4885LMNA 1815/4885

“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.