SCHEMBL12738872

SCHEMBL12738872

CCCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(CCC)cn4)c(F)c3F)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ TP53 P04637 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NFKB1 P19838 4/20 0.44
▸ NFKB2 Q00653 4/20 0.44
▸ RELA Q04206 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 5/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ STAT3 P40763 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL12738867 0.89 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738870 0.88 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738808 0.87 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10303288 0.87 RAB9A (0.38) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12735631 0.87 RARB (0.41) RARBRARARARGS1PR1
SCHEMBL12738874 0.85 RARB (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738869 0.84 RARB (0.37) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738800 0.84 RAB9A (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12735630 0.83 RARB (0.46) TP53HSD17B10MAPTRARBRARA
SCHEMBL12738880 0.83 RAB9A (0.47) 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 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 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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