SCHEMBL3031530

SCHEMBL3031530

CCc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.46
▸ LIPG Q9Y5X9 2/20 0.46
▸ CHKA P35790 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ MPL P40238 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ METAP2 P50579 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
SCHEMBL6560893 0.87 LPL (0.37) LPLLIPGCHKAEGFRSMN1; SMN2
SCHEMBL2910682 0.87 LPL (0.49) LPLLIPGCHKARARBMPL
SCHEMBL13405763 0.85 LMNA (0.43) LPLLIPGCHKAEGFRSMN1; SMN2
SCHEMBL28881449 0.85 LPL (0.44) LPLLIPGEGFRSMN1; SMN2NPC1
SCHEMBL16572151 0.84 CA1 (0.51) LPLLIPGALDH1A1RARBMPL
SCHEMBL7764726 0.83 LPL (0.53) LPLLIPGEGFRLMNAMAPK14
SCHEMBL29950872 0.83 LPL (0.53) LPLLIPGEGFRLMNAMAPK14
SCHEMBL7789321 0.82 LIPG (0.54) LPLLIPGEGFRLMNAMAPK14
SCHEMBL7786816 0.82 LIPG (0.54) LPLLIPGEGFRLMNAMAPK14
SCHEMBL1460538 0.80 ESR1 (0.38) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304036-B2 2, 5-selenophene derivatives and 2, 5-tellurophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-06 — — US disclosed
US-8304036-B2 2, 5-selenophene derivatives and 2, 5-tellurophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-06 — — US disclosed
US-8304036-B2 2, 5-selenophene derivatives and 2, 5-tellurophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-06 — — US disclosed
US-20100216986-A1 2, 5-SELENOPHENE DERIVATIVES AND 2, 5-TELLUROPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-08-26 — — US disclosed
US-20100216986-A1 2, 5-SELENOPHENE DERIVATIVES AND 2, 5-TELLUROPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-08-26 — — US disclosed
US-20100216986-A1 2, 5-SELENOPHENE DERIVATIVES AND 2, 5-TELLUROPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-08-26 — — US disclosed
WO-2009033532-A1 2,5-SELENOPHENE DERIVATIVES AND 2,5-TELLUROPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 — — WO disclosed
WO-2009033532-A1 2,5-SELENOPHENE DERIVATIVES AND 2,5-TELLUROPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 — — WO disclosed
US-6420584-B1 DEPROTONATION USING ALKYL- OR ARYLMETAL COMPOUNDS OR METAL HYDRIDES IN THE PRESENCE OF A CATALYTIC AMOUNT OF A SECONDARY METAL AMIDE. MERCK PATENT GMBH (DE) 2002-07-16 — — US disclosed
US-6207835-B1 DEPROTONATION IN CONTINUOUS FLOW REACTOR MERCK KGAA (DE) 2001-03-27 — — 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-20100216986-A1 2, 5-SELENOPHENE DERIVATIVES AND 2, 5-TELLUROPHENE DERIVATIVES SELENOI, SCLY, SULT1E1 LPL 3312/4885LIPG 2909/4885CHKA 4272/4885

“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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