SCHEMBL12738869

SCHEMBL12738869

CCCCc1ccc(-c2ccc(CCc3ccc(-c4ncc(CC)cn4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.37
▸ RARA P10276 2/20 0.37
▸ RARG P13631 1/20 0.37
▸ RAB9A P51151 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ NFKB1 P19838 3/20 0.34
▸ NFKB2 Q00653 3/20 0.34
▸ RELA Q04206 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12738874 0.91 RARB (0.41) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12718404 0.87 RAB9A (0.38) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12735637 0.87 RARB (0.41) RARBRARARARGMPLS1PR1
SCHEMBL12738872 0.84 SMN1; SMN2 (0.46) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12738866 0.84 RARB (0.34) RARBRARARARG
SCHEMBL12738805 0.83 RAB9A (0.38) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL12717937 0.83 CTSL (0.37) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL12735631 0.83 RARB (0.41) RARBRARARARGMPLS1PR1
SCHEMBL12734686 0.83 BRS3 (0.32) RARBRARARAB9ASMN1; SMN2NPC1
SCHEMBL10301938 0.83 RARB (0.48) RARBRARARARGMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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
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 RARB 2705/4885RARA 2089/4885RARG 3220/4885

“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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