SCHEMBL19327157

SCHEMBL19327157

O=C(CBr)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.46
▸ CTSL P07711 4/20 0.46
▸ BACE1 P56817 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAOB P27338 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28171182 0.88 MEN1 (0.47) CTSVCTSLBACE1MEN1KMT2A
SCHEMBL561090 0.85 MAOB (0.56) CTSVCTSLBACE1MEN1KMT2A
SCHEMBL19327132 0.82 MEN1 (0.45) CTSVCTSLBACE1MEN1KMT2A
SCHEMBL27585583 0.77 CTSV (0.54) CTSVCTSLBACE1MEN1KMT2A
SCHEMBL11262742 0.76 MAPT (0.54) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL27684770 0.76 BACE1 (0.52) BACE1MEN1KMT2AMAPTRAB9A
SCHEMBL27647870 0.75 MAPT (0.45) BACE1MEN1KMT2AMAPTRAB9A
SCHEMBL1663438 0.75 MEN1 (0.57) CTSVCTSLBACE1MEN1KMT2A
SCHEMBL30832846 0.75 MEN1 (0.57) CTSVCTSLBACE1MEN1KMT2A
SCHEMBL5024079 0.75 BACE1 (0.46) BACE1MEN1KMT2AMAPTRAB9A

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-10059678-B2 Process for preparing olodaterol and intermediates thereof REDDY, G. Pratap (IN) 2018-08-28 — — US disclosed
US-20170260149-A1 A Process for Preparing Olodaterol and Intermediates Thereof REDDY, G. Pratap (IN) 2017-09-14 — — 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-20170260149-A1 A Process for Preparing Olodaterol and Intermediates Thereof CYP4A11, CYP11B1, CYP11B2 CTSV 3994/4885CTSL 3028/4885BACE1 478/4885
US-10059678-B2 Process for preparing olodaterol and intermediates thereof CYP4A11, CYP11B1, CYP11B2 CTSV 4263/4885CTSL 3411/4885BACE1 510/4885

“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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