SCHEMBL12738819

SCHEMBL12738819

CCCCCc1cnc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RARB P10826 7/20 0.39
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL10091369 0.91 RARB (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL12735556 0.91 RARB (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL12740093 0.91 RARB (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL12738814 0.89 S1PR1 (0.37) RAB9AMAPTL3MBTL1S1PR1S1PR3
SCHEMBL10301921 0.89 RARB (0.39) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9548148 0.85 RARB (0.45) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9406337 0.85 RARB (0.45) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9485582 0.85 RARB (0.46) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL12738805 0.85 RAB9A (0.38) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL21869910 0.84 CNR2 (0.39) RAB9AMAPTL3MBTL1SMN1; SMN2RARB

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-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

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 RAB9A 972/4885MAPT 1075/4885L3MBTL1 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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