SCHEMBL10303288

SCHEMBL10303288

CCCCc1ccc(-c2ccc(-c3ccc(CCC)c(F)c3F)nc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NFKB1 P19838 3/20 0.38
▸ NFKB2 Q00653 3/20 0.38
▸ RELA Q04206 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FEN1 P39748 5/20 0.37
▸ ALOX5AP P20292 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MAPT P10636 1/20 0.33
▸ CASP3 P42574 1/20 0.33

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
SCHEMBL10303397 0.91 RAB9A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10303390 0.89 RAB9A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12738872 0.87 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10303313 0.84 RAB9A (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17356648 0.82 GCGR (0.39) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12738867 0.82 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10303346 0.81 RAB9A (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10302738 0.78 MCHR1 (0.32) TYR
SCHEMBL9337514 0.76 FEN1 (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL10302819 0.76 FFAR1 (0.35) CTSLCTSSCTSK

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 RAB9A 710/4885NPC1 1614/4885SMN1; SMN2 3123/4885

“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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