SCHEMBL10301842

SCHEMBL10301842

CCCCOc1ccc(C2CCC(/C=C/c3ccc(C)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.35
▸ TLR4 O00206 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ PDE2A O00408 3/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ PPARD Q03181 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL10301843 0.98 CRBN (0.34) CRBNTLR4TLR2ACACBPDE2A
SCHEMBL12889169 0.97 PDE2A (0.33) CRBNTLR4TLR2ACACBPDE2A
SCHEMBL12889170 0.97 PDE2A (0.33) CRBNTLR4TLR2ACACBPDE2A
SCHEMBL10301845 0.97 PDE2A (0.33) CRBNTLR4TLR2ACACBPDE2A
SCHEMBL10301841 0.92 HPGD (0.32) PPARD
SCHEMBL10301849 0.90 MAPT (0.31) —
SCHEMBL10301848 0.89 ACACB (0.31) ACACB
SCHEMBL14765832 0.89 CRBN (0.33) CRBNTLR4TLR2SCN9APPARG
SCHEMBL12734168 0.89 CRBN (0.34) CRBNTLR4TLR2SCN9A
SCHEMBL14765847 0.88 TLR4 (0.33) CRBNTLR4TLR2ACACBPPARG

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CRBN 1642/4885TLR4 3894/4885TLR2 3539/4885

“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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