SCHEMBL12823317

SCHEMBL12823317

C=CCCOc1ccc(C2CCC(OCc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL12822571 0.97 NAAA (0.33) NAAAGABRA1GABRB2FAAHPDE4A
SCHEMBL12823254 0.91 NAAA (0.33) NAAAGABRA1GABRB2
SCHEMBL13586129 0.91 NAAA (0.40) NAAAFAAHPDE4APDE4BPDE4C
SCHEMBL12716700 0.89 — —
SCHEMBL12821338 0.88 GABRA1 (0.31) GABRA1GABRB2PDE4APDE4BPDE4C
SCHEMBL12718965 0.88 GABRA1 (0.31) GABRA1GABRB2PDE4APDE4BPDE4C
SCHEMBL12822514 0.88 FPR2 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL12716695 0.88 ACACB (0.34) —
SCHEMBL14765920 0.87 NAAA (0.35) NAAAGABRA1GABRB2
SCHEMBL12716902 0.87 — —

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 NAAA 3997/4885GABRA1 3981/4885GABRB2 4384/4885

“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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