SCHEMBL12907931

SCHEMBL12907931

CCOc1ccc(C2CCC(c3ccc(C(C)O)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ FFAR1 O14842 5/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ACACB O00763 3/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CPS1 P31327 2/20 0.34

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
SCHEMBL13653969 0.88 FFAR1 (0.42) FFAR1GPR119ACACB
SCHEMBL10303400 0.88 CYP2D6 (0.38) MAOAMAOBFFAR1MEN1KMT2A
SCHEMBL11940000 0.88 MAOA (0.39) MAOAMAOBFFAR1
SCHEMBL10303407 0.87 CPS1 (0.35) FFAR1MEN1KMT2ANQO2MTNR1A
SCHEMBL10303248 0.87 MAOA (0.38) MAOAMAOBFFAR1MEN1HTT
SCHEMBL10303061 0.86 MAOA (0.35) MAOAMAOBFFAR1GPR119NQO2
SCHEMBL10303303 0.86 ACACB (0.34) MAOAMAOBFFAR1MEN1KMT2A
SCHEMBL10302993 0.85 MEN1 (0.34) MAOAMAOBFFAR1MEN1HTT
SCHEMBL10091488 0.84 CPS1 (0.33) FFAR1MEN1KMT2AGPR119NQO2
SCHEMBL11943802 0.84 MAOA (0.39) MAOAMAOBFFAR1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOA 3749/4885MAOB 3725/4885FFAR1 681/4885

“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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