SCHEMBL12822179

SCHEMBL12822179

CCc1ccc(-c2ccc(CCc3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)nc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ FEN1 P39748 2/20 0.31
▸ ALOX5AP P20292 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
SCHEMBL13586349 0.88 BRD4 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL12822756 0.87 BRD4 (0.34) BRD4
SCHEMBL13586487 0.85 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL12907009 0.84 BRD4 (0.39) BRD4GRM2
SCHEMBL12738867 0.83 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL12821152 0.83 BRD4 (0.34) BRD4
SCHEMBL12717933 0.83 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL12908029 0.81 BRD4 (0.37) BRD4
SCHEMBL13586484 0.81 ALOX5AP (0.36) BRD4GRM2FEN1ALOX5AP
SCHEMBL12738875 0.81 CYP17A1 (0.44) NPC1RAB9ASMN1; SMN2TP53PKM

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 NPC1 1631/4885RAB9A 972/4885SMN1; SMN2 3745/4885

“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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