SCHEMBL12823348

SCHEMBL12823348

COC1CCC(c2ccc(C3CCC(C(=O)Oc4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ HPGD P15428 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ GRM1 Q13255 1/20 0.31
▸ HCRTR2 O43614 2/20 0.30
▸ GSTO1 P78417 1/20 0.30
▸ PARP1 P09874 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
SCHEMBL13586110 0.95 IDH1 (0.33) IDH1PDE4BPDE4APDE4CPDE4D
SCHEMBL12822149 0.90 PDE4B (0.36) IDH1PDE4BPDE4APDE4CPDE4D
SCHEMBL12823095 0.87 MEN1 (0.35) PDE4BHPGDL3MBTL1MEN1RAB9A
SCHEMBL12823430 0.87 HPGD (0.32) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL13586324 0.86 GSTO1 (0.33) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL12822526 0.86 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL12823686 0.85 CYP2C9 (0.37) HPGDMEN1KMT2A
SCHEMBL12719656 0.85 HPGD (0.32) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL12719614 0.85 POLB (0.35) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL13586631 0.84 HPGD (0.39) HPGDL3MBTL1RAB9AKMT2A

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 IDH1 4556/4885PDE4B 2984/4885PDE4A 3366/4885

“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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