SCHEMBL10076826

SCHEMBL10076826

COC(=O)c1cc(C(=O)CN(CCCCCCOCCCCc2ccccc2)Cc2ccccc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.43
▸ APP P05067 3/20 0.41
▸ EGFR P00533 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ STAT3 P40763 2/20 0.39

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
SCHEMBL9574173 0.98 MAOB (0.43) MAOBAPPEGFRMEN1LMNA
Hydrochloric Acid SCHEMBL11671567 0.90 APP (0.47) MAOBAPPMEN1LMNAKMT2A
SCHEMBL10477860 0.83 KDM4E (0.41) MAOBMEN1LMNAKMT2A
SCHEMBL10077369 0.83 CDK1 (0.42) MAOBMEN1KMT2A
SCHEMBL10592068 0.81 MAOB (0.40) MAOBAPPMEN1KMT2A
SCHEMBL456296 0.80 FOLH1 (0.43) MAOBEGFR
SCHEMBL9668333 0.79 MAOB (0.42) MAOBAPPMEN1KMT2A
SCHEMBL11750936 0.78 SMN1; SMN2 (0.47) MAOBEGFRMEN1LMNAKMT2A
SCHEMBL469526 0.77 THRA (0.48) —
SCHEMBL10477760 0.77 MEN1 (0.47) MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 — — WO disclosed
US-20110118358-A1 DEUTERIUM-ENRICHED SALMETEROL PROTIA, LLC (US) 2011-05-19 — — US disclosed
US-20110118358-A1 DEUTERIUM-ENRICHED SALMETEROL PROTIA, LLC (US) 2011-05-19 — — US disclosed
US-20080319086-A1 DEUTERIUM-ENRICHED SALMETEROL PROTIA, LLC (US) 2008-12-25 — — US disclosed
US-20080319086-A1 DEUTERIUM-ENRICHED SALMETEROL PROTIA, LLC (US) 2008-12-25 — — US disclosed
WO-2008157656-A1 DEUTERIUM-ENRICHED SALMETEROL PROTIA LLC (US) 2008-12-24 — — 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 (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-20080319086-A1 DEUTERIUM-ENRICHED SALMETEROL HSD3B1, HSD3B2, HSD11B1 MAOB 2313/4885APP 3580/4885EGFR 3345/4885
US-20110118358-A1 DEUTERIUM-ENRICHED SALMETEROL HSD3B1, HSD3B2, HSD11B1 MAOB 2313/4885APP 3580/4885EGFR 3345/4885

“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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