SCHEMBL10303390

SCHEMBL10303390

CCCCc1ccc(-c2ccc(-c3ccc(CCC)c(F)c3F)nc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ NFKB1 P19838 4/20 0.41
▸ NFKB2 Q00653 4/20 0.41
▸ RELA Q04206 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ FEN1 P39748 3/20 0.40
▸ ALOX5AP P20292 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PKM P14618 1/20 0.36

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
SCHEMBL10303288 0.89 RAB9A (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10303397 0.89 RAB9A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10303313 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10303346 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17356648 0.85 GCGR (0.39) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12738800 0.83 RAB9A (0.42) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12738808 0.82 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10302713 0.80 CTSL (0.35) FEN1ALOX5APCTSLCTSSCTSK
SCHEMBL9419245 0.80 CCR1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9343376 0.80 MAPT (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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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