SCHEMBL12823561

SCHEMBL12823561

CCCC(O)c1ccc(-c2ccc(CCC3CC=C(c4ccc(OCC)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL13586238 0.92 FAAH (0.35) PDE5AHDAC1HDAC6
SCHEMBL12822889 0.91 — —
SCHEMBL12823555 0.91 — —
SCHEMBL12718312 0.91 ESR2 (0.31) PDE5AHDAC1HDAC6
SCHEMBL11939249 0.89 CTSL (0.31) PDE5AHDAC1HDAC6
SCHEMBL12822954 0.89 ESR2 (0.33) —
SCHEMBL11939235 0.89 CTSL (0.31) PDE5AHDAC1HDAC6
SCHEMBL12822844 0.89 FFAR4 (0.32) —
SCHEMBL11939323 0.87 NAAA (0.31) PDE5AHDAC1HDAC6
SCHEMBL11938864 0.86 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PDE5A 3609/4885HDAC1 2612/4885HDAC6 3334/4885

“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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