SCHEMBL12823430

SCHEMBL12823430

CCC1CCC(c2ccc(C3CCC(C(=O)Oc4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL13586185 0.94 HPGD (0.33) HPGDRAB9AL3MBTL1MEN1KMT2A
SCHEMBL12823686 0.92 CYP2C9 (0.37) HPGDMEN1KMT2ALMNA
SCHEMBL12823348 0.87 IDH1 (0.33) HPGDRAB9AL3MBTL1MEN1KMT2A
SCHEMBL12823378 0.87 CYP2C9 (0.36) HPGDMEN1KMT2ALMNA
SCHEMBL13586324 0.85 GSTO1 (0.33) HPGDRAB9AL3MBTL1MEN1KMT2A
SCHEMBL12822666 0.85 KMT2A (0.31) HPGDKMT2A
SCHEMBL12719656 0.85 HPGD (0.32) HPGDRAB9AL3MBTL1MEN1KMT2A
SCHEMBL13586633 0.85 ALOX5AP (0.33) —
SCHEMBL12719614 0.84 POLB (0.35) HPGDRAB9AL3MBTL1MEN1KMT2A
SCHEMBL12737188 0.84 HPGD (0.42) HPGDRAB9ANPC1LMNAALOX15

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 HPGD 4781/4885RAB9A 972/4885L3MBTL1 202/4885

“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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