SCHEMBL12738808

SCHEMBL12738808

CCCCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(CCC)cn4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 12/20 0.45
▸ RAB9A P51151 11/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ MAPT P10636 6/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 4/20 0.43
▸ NFKB2 Q00653 4/20 0.43
▸ RELA Q04206 4/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 2/20 0.40

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
SCHEMBL12718449 0.91 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1MAPTSTAT3
SCHEMBL12738800 0.90 RAB9A (0.42) SMN1; SMN2RAB9ANPC1MAPTSTAT3
SCHEMBL12735535 0.88 RARB (0.44) MAPTTP53HSD17B10KDM4EALDH1A1
SCHEMBL12740085 0.88 RARB (0.44) MAPTTP53HSD17B10KDM4EALDH1A1
SCHEMBL12738812 0.87 CASP3 (0.50) SMN1; SMN2RAB9ANPC1MAPTSTAT3
SCHEMBL12738872 0.87 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MAPTSTAT3
SCHEMBL12738818 0.87 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MAPTSTAT3
SCHEMBL9485527 0.87 RARB (0.45) MAPTTP53HSD17B10KDM4EALDH1A1
SCHEMBL9486681 0.85 RARB (0.47) SMN1; SMN2RAB9AMAPTTP53HSD17B10
SCHEMBL9486821 0.85 RARB (0.47) SMN1; SMN2RAB9AMAPTTP53HSD17B10

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 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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