SCHEMBL12739552

SCHEMBL12739552

CCCCc1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.39
▸ MPL P40238 8/20 0.38
▸ BRS3 P32247 1/20 0.35
▸ KCNA3 P22001 2/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ TYR P14679 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
SCHEMBL12739554 0.96 RARB (0.43) RARBMPLKCNA3SPHK1RARA
SCHEMBL12739549 0.93 RARB (0.36) RARBMPLBRS3KCNA3SPHK1
SCHEMBL12739551 0.90 KCNA3 (0.38) RARBMPLBRS3KCNA3NFE2L2
SCHEMBL12716979 0.89 RARB (0.37) RARBMPLBRS3KCNA3SPHK1
SCHEMBL12739547 0.88 ALOX5 (0.38) RARBMPLBRS3KCNA3NFE2L2
SCHEMBL12740131 0.86 RARB (0.42) RARBMPLRARARARGS1PR1
SCHEMBL12734694 0.86 RARB (0.41) RARBMPLKCNA3SPHK1RARA
SCHEMBL12734576 0.84 MPL (0.35) RARBMPLBRS3KCNA3SPHK1
SCHEMBL12739503 0.84 MPL (0.35) RARBMPLBRS3KCNA3SPHK1
SCHEMBL12994273 0.84 KCNA3 (0.37) RARBMPLBRS3KCNA3NFE2L2

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 RARB 2705/4885MPL 4673/4885BRS3 2720/4885

“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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