SCHEMBL11939222

SCHEMBL11939222

CCCC(O)c1ccc(OCC2CC=C(c3ccc(-c4ccc(OCC)c(F)c4F)cc3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 1/20 0.33
▸ PDE5A O76074 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ FAAH O00519 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
SCHEMBL11939356 0.96 FAAH (0.33) FEN1PDE5AHDAC1HDAC6FAAH
SCHEMBL11939011 0.93 PDE5A (0.35) FEN1PDE5AHDAC1HDAC6FAAH
SCHEMBL11939817 0.90 FFAR4 (0.33) FEN1PDE5AHDAC1HDAC6FAAH
SCHEMBL11939192 0.90 PDE5A (0.30) PDE5AHDAC1HDAC6
SCHEMBL11939239 0.90 PDE5A (0.30) PDE5AHDAC1HDAC6
SCHEMBL11939323 0.89 NAAA (0.31) PDE5AHDAC1HDAC6
SCHEMBL15381705 0.89 NAAA (0.35) FEN1PDE5AHDAC1HDAC6
SCHEMBL11939201 0.87 FPR2 (0.33) FAAH
SCHEMBL11939354 0.87 FFAR4 (0.32) —
SCHEMBL11938864 0.87 NAAA (0.31) PDE5AHDAC1HDAC6

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO 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 FEN1 1475/4885PDE5A 3350/4885HDAC1 1930/4885

“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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