SCHEMBL12718449

SCHEMBL12718449

CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(CC)c(F)c4F)cc3)c(F)c2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 11/20 0.45
▸ RAB9A P51151 10/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ TP53 P04637 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ NFKB1 P19838 4/20 0.38
▸ NFKB2 Q00653 4/20 0.38
▸ RELA Q04206 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ FEN1 P39748 3/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL12738808 0.91 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738818 0.89 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738795 0.88 PTGS2 (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12740082 0.87 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL12735528 0.87 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL12738800 0.87 RAB9A (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10301915 0.85 CTSL (0.43) MAPTCTSLCTSSCTSK
SCHEMBL10301912 0.85 CTSL (0.43) MAPTCTSLCTSSCTSK
SCHEMBL9486711 0.84 CHKA (0.41) CTSLCTSSCTSK
SCHEMBL12717933 0.84 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1TP53PKM

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 6 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 SMN1; SMN2 3745/4885RAB9A 972/4885NPC1 1631/4885

“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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