SCHEMBL565639

SCHEMBL565639

[2H]C([2H])(O)c1cc(OCc2ccccc2)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.51
▸ ALOX5 P09917 1/20 0.50
▸ CYP4F2 P78329 1/20 0.49
▸ CYP4A11 Q02928 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ RHEB Q15382 1/20 0.48
▸ GSTP1 P09211 1/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL31748829 0.88 MAOB (0.54) MAOBALOX5CYP4F2CYP4A11LMNA
SCHEMBL29925382 0.81 MAOB (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL2133357 0.81 MAOB (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL28120154 0.81 MAOB (0.56) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL28866139 0.81 MAOB (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL281986 0.79 LMNA (0.67) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL31069846 0.79 LMNA (0.67) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL2434378 0.79 MAOB (0.51) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL3920931 0.79 MAOB (0.51) MAOBALOX5CYP4F2CYP4A11LMNA
SCHEMBL4893235 0.79 MAPT (0.58) MAOBALOX5CYP4F2CYP4A11LTA4H

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
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 — — US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 — — US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 — — US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 — — 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 MAOB 587/4885ALOX5 1588/4885CYP4F2 1191/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 MAOB 587/4885ALOX5 1588/4885CYP4F2 1191/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 MAOB 587/4885ALOX5 1588/4885CYP4F2 1191/4885

“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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