SCHEMBL10454998

SCHEMBL10454998

Cc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.40
▸ LPL P06858 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ PTGS2 P35354 4/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ ORAI1 Q96D31 1/20 0.35
▸ ORAI2 Q96SN7 1/20 0.35
▸ ORAI3 Q9BRQ5 1/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35
▸ ACHE P22303 2/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ COMT P21964 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL1460538 0.85 ESR1 (0.38) RPS6KA3ABCB1HSD17B10
SCHEMBL172423 0.83 ACHE (0.48) PTGS2PTGS1ACHERPS6KA3COMT
SCHEMBL29281552 0.83 CA2 (0.39) CA2LPLLIPGPTGS2PTGS1
SCHEMBL17570168 0.81 ACHE (0.46) PTGS2PTGS1ACHERPS6KA3COMT
SCHEMBL3031530 0.80 LPL (0.46) LPLLIPGALDH1A1
SCHEMBL21374025 0.80 PTGS2 (0.40) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL16572153 0.79 AKR1C3 (0.44) PTGS2AKR1C3AKR1C2KDM1A
SCHEMBL172128 0.78 ACHE (0.56) PTGS2PTGS1ACHERPS6KA3
SCHEMBL2910682 0.78 LPL (0.49) CA2LPLLIPGCA1
SCHEMBL9419257 0.76 COMT (0.45) PTGS2PTGS1ACHERPS6KA3COMT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 — — 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-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 — — 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 (2 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 CA2 2589/4885LPL 2277/4885LIPG 3138/4885
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 CA2 1123/4885LPL 459/4885LIPG 1457/4885

“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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