SCHEMBL17075733

SCHEMBL17075733

CCC[C@H]1CC[C@H](C2CC=C(c3c(F)cccc3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.36
OPRL1 P41146 4/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30

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
SCHEMBL17075735 1.00 TLR4 (0.36) TLR4OPRL1DRD2DRD3
SCHEMBL11032337 0.87 TLR4 (0.38) TLR4
SCHEMBL11032350 0.87 TLR4 (0.38) TLR4
SCHEMBL7668253 0.86 TLR4 (0.34) TLR4
SCHEMBL7668264 0.86 TLR4 (0.34) TLR4
SCHEMBL15256169 0.86 TLR4 (0.35) TLR4
SCHEMBL10896345 0.82 TLR4 (0.41) TLR4
SCHEMBL10896353 0.82 TLR4 (0.41) TLR4
SCHEMBL11035502 0.81 TLR4 (0.37) TLR4
SCHEMBL10606505 0.81 TLR4 (0.37) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
CN-104640832-B There is the compound and liquid-crystal composition thereof of fluoridizing naphthalene structure DIC CORP. (JP) 2016-03-02 CN disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
CN-104640832-A Compound having fluorinated naphthalene structure and liquid crystal composition of said compound DAINIPPON INK & CHEMICALS 2015-05-20 CN 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-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 TLR4 2576/4885OPRL1 1229/4885DRD2 584/4885

“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.