SCHEMBL9758134

SCHEMBL9758134

CCCC1CCC(C2CCC(F)(CC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL9758125 1.00 TLR4 (0.34) TLR4CYP1A2
SCHEMBL9758128 1.00 TLR4 (0.34) TLR4CYP1A2
SCHEMBL14329914 0.90 TLR4 (0.33) TLR4
SCHEMBL9759349 0.89 TLR4 (0.33) TLR4
SCHEMBL9759362 0.89 TLR4 (0.33) TLR4
SCHEMBL9759355 0.89 TLR4 (0.33) TLR4
SCHEMBL10999531 0.87 CYP1A2 (0.39) CYP1A2
SCHEMBL9758255 0.87 CYP1A2 (0.39) CYP1A2
SCHEMBL9758251 0.87 CYP1A2 (0.39) CYP1A2
SCHEMBL6407432 0.86 TLR4 (0.35) TLR4CYP1A2

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-8778223-B2 Liquid crystals having cyclohexyl core structures and fluorinated tails LC VISION, LLC (US) 2014-07-15 US disclosed
US-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS LC VISION, LLC 2012-12-27 US disclosed
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 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-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS Q6ZSR9, CRACR2A, RCC1 TLR4 4212/4885CYP1A2 1656/4885

“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.