SCHEMBL17342189

SCHEMBL17342189

CCCC1CCC(c2ccc(-c3cc(F)c(-c4ccc(C)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A3 Q01959 1/20 0.37
ESR2 Q92731 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
DGAT1 O75907 5/20 0.34
SOAT1 P35610 2/20 0.33
OPRL1 P41146 2/20 0.32
IDO1 P14902 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
SCHEMBL16574952 0.92 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17366604 0.90 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17716250 0.89 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17465559 0.89 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18385885 0.87 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16841946 0.85 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17070292 0.85 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16574951 0.85 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15235228 0.85 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL21626051 0.84 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688913-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-06-27 US disclosed
US-20160122646-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-05-05 US disclosed
US-20150361343-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2015-12-17 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-20150361343-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY CXCR1, CPNE4, CXCR2 CYP2C9 458/4885ALDH1A1 1166/4885LMNA 879/4885

“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.