SCHEMBL12032003

SCHEMBL12032003

CCCC1CCC(C2CCC(C3CCC(C(F)(F)F)CC3)CC2)C1

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
SCHEMBL12031924 1.00 TLR4 (0.38) TLR4
SCHEMBL9151186 0.92 TLR4 (0.36) TLR4
SCHEMBL6058639 0.92 TLR4 (0.36) TLR4
SCHEMBL9151882 0.90 TLR4 (0.35) TLR4
SCHEMBL9151877 0.90 TLR4 (0.35) TLR4
SCHEMBL9767719 0.90 TLR4 (0.35) TLR4
SCHEMBL6304648 0.89 TLR4 (0.38) TLR4
SCHEMBL6304643 0.89 TLR4 (0.38) TLR4
SCHEMBL24325564 0.86 CYP1A2 (0.36)
SCHEMBL15684073 0.86 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 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-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CTNND1, HCN1, CTNNA1 TLR4 3605/4885

“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.