SCHEMBL1001087

SCHEMBL1001087

CCC[C@H]1CC[C@H](C2CCC([C@H]3CC[C@H](CC)CC3)C(=O)O2)CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 0.36

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
SCHEMBL1001088 1.00 TLR4 (0.36) TLR4
SCHEMBL12926630 1.00 TLR4 (0.36) TLR4
SCHEMBL1001089 1.00 TLR4 (0.36) TLR4
SCHEMBL12926633 0.90 CYP1A2 (0.39) —
SCHEMBL12926635 0.90 TLR4 (0.35) TLR4
SCHEMBL12926747 0.84 TLR4 (0.35) TLR4
SCHEMBL12926641 0.83 TLR4 (0.33) TLR4
SCHEMBL12926615 0.82 CYP1A2 (0.34) TLR4
SCHEMBL12926593 0.82 KMT2A (0.33) TLR4
SCHEMBL12926594 0.82 TLR4 (0.40) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875327-B2 nematic phase consisting of a lactone ring of pyranone, a cyclohexylene or 1,4-phenylene ring, or replaced by one or more fluorine; controlling temperature, optical and dielectric anisotropy, photostability, heat resistance CHISSO CORPORATION (JP) 2011-01-25 — — US disclosed
US-20100038588-A1 Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device CHISSO CORPORATION (JP) 2010-02-18 — — US disclosed
US-7618688-B2 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-11-17 — — US disclosed
EP-1785467-B1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2009-03-18 — — EP disclosed
US-20070108410-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION 2007-05-17 — — US disclosed
EP-1785467-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2007-05-16 — — EP 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 (2 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-20100038588-A1 Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device TCF7L2, TCF7, CA7 TLR4 3225/4885
US-20070108410-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device TCF7L2, TCF7, CA7 TLR4 3219/4885

“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.

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