SCHEMBL6304643

SCHEMBL6304643

CCCC1CCC(C2CCC3C[C@H](C(F)(F)F)CC[C@@H]3C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38

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
SCHEMBL6304648 1.00 TLR4 (0.38) TLR4
SCHEMBL12032003 0.89 TLR4 (0.38) TLR4
SCHEMBL12031924 0.89 TLR4 (0.38) TLR4
SCHEMBL6058639 0.88 TLR4 (0.36) TLR4
SCHEMBL9151186 0.88 TLR4 (0.36) TLR4
SCHEMBL9151882 0.86 TLR4 (0.35) TLR4
SCHEMBL9151877 0.86 TLR4 (0.35) TLR4
SCHEMBL9767719 0.86 TLR4 (0.35) TLR4
SCHEMBL24325564 0.82 CYP1A2 (0.36)
SCHEMBL15684073 0.82 CYP1A2 (0.36)

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-6916513-B2 High dielectric anisotropy and low birefringence; liquid crystal mixtures MERCK PATENT GMBH (DE) 2005-07-12 US disclosed
US-20040119050-A1 liquid-crystal display element and an electro-optical display element. MERCH PATENT GMBH (DE) 2004-06-24 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-20040119050-A1 liquid-crystal display element and an electro-optical display element. CXCR1, DERL1, TTI2 TLR4 1016/4885

“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.