SCHEMBL10301847

SCHEMBL10301847

C=CCOc1ccc(C2CCC(/C=C/c3ccc(C)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA9 Q16790 2/20 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
SCHEMBL10301848 0.91 ACACB (0.31) —
SCHEMBL10301849 0.90 MAPT (0.31) ALDH1A1MAPT
SCHEMBL10301841 0.90 HPGD (0.32) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL12734187 0.89 MAPT (0.31) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL10301842 0.88 CRBN (0.35) —
SCHEMBL12734351 0.87 MEN1 (0.33) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14765859 0.86 HCRTR2 (0.30) —
SCHEMBL10301843 0.86 CRBN (0.34) —
SCHEMBL10302960 0.85 CYP2D6 (0.33) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL12889169 0.85 PDE2A (0.33) —

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 ALDH1A1 1806/4885GAA 4618/4885HPGD 4792/4885

“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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