SCHEMBL11940000

SCHEMBL11940000

CCOc1ccc(COc2ccc(C3CCC(c4ccc(C(C)O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KCNH2 Q12809 1/20 0.35
▸ SCN3A Q9NY46 2/20 0.35
▸ ACACA Q13085 1/20 0.34
▸ CACNA1C Q13936 1/20 0.33
▸ FFAR1 O14842 7/20 0.33
▸ PPARD Q03181 3/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL15381817 0.91 CACNA1C (0.38) MAOAMAOBKCNH2SCN3AACACA
SCHEMBL11939375 0.90 PTGDR2 (0.35) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL11939379 0.90 PTGDR2 (0.35) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL11943802 0.89 MAOA (0.39) MAOAMAOBKCNH2SCN3AACACA
SCHEMBL12907931 0.88 MAOA (0.36) MAOAMAOBFFAR1
SCHEMBL12836541 0.87 MAOB (0.38) MAOAMAOBKCNH2SCN3AACACA
SCHEMBL10303248 0.86 MAOA (0.38) MAOAMAOBKCNH2SCN3AACACA
SCHEMBL11933435 0.86 HTR6 (0.37) MAOAMAOBKCNH2CACNA1CFFAR1
SCHEMBL15381695 0.86 SCN9A (0.36) MAOAMAOBKCNH2CACNA1CFFAR1
SCHEMBL10303214 0.85 NAAA (0.35) MAOAMAOB

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 MAOA 2577/4885MAOB 2056/4885KCNH2 1495/4885

“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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