SCHEMBL12739554

SCHEMBL12739554

CCCCCc1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.43
▸ RARA P10276 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ MPL P40238 2/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ KCNA3 P22001 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL12739552 0.96 RARB (0.39) RARBRARARARGSPHK1MPL
SCHEMBL12739549 0.89 RARB (0.36) RARBSPHK1TLR8MPLKCNA3
SCHEMBL12734694 0.89 RARB (0.41) RARBRARARARGSPHK2SPHK1
SCHEMBL12739551 0.89 KCNA3 (0.38) RARBMPLKCNA3KDM4ENPC1
SCHEMBL12739547 0.86 ALOX5 (0.38) RARBMPLKCNA3KDM4ENPC1
SCHEMBL12740132 0.86 RARB (0.47) RARBRARARARGTLR8MPL
SCHEMBL12716979 0.85 RARB (0.37) RARBRARARARGSPHK1MPL
SCHEMBL12739504 0.85 RARB (0.37) RARBRARARARGSPHK2SPHK1
SCHEMBL12734581 0.85 RARB (0.37) RARBRARARARGSPHK2SPHK1
SCHEMBL10301751 0.84 RARB (0.38) RARBRARARARGTLR8GPR3

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 RARB 2705/4885RARA 2089/4885RARG 3220/4885

“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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