SCHEMBL1448829

SCHEMBL1448829

CCOc1cccc(O)c1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
THRB P10828 1/20 0.59
CA9 Q16790 3/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
SLC28A3 Q9HAS3 2/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN1 P18031 2/20 0.47
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HCRTR1 O43613 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
SCHEMBL29788611 1.00 MAOB (0.61) MAOBTHRBCA9CA12CA1
SCHEMBL5088087 0.89 CA9 (0.54) MAOBTHRBCA9MAPTGAA
SCHEMBL12009587 0.87 MAOB (0.63) MAOBTHRBCA9CA12CA1
SCHEMBL7648612 0.86 MAOB (0.58) MAOBTHRBCA9CA12CA1
SCHEMBL5464526 0.86 CA12 (0.55) MAOBCA9CA12CA1CA2
SCHEMBL16160517 0.85 PTPN1 (0.60) MAOBTHRBCA9CA12CA1
SCHEMBL15012848 0.84 CA12 (0.54) MAOBTHRBCA9CA12CA1
SCHEMBL23640216 0.83 MAOB (0.52) MAOBTHRBCA9CA12CA1
SCHEMBL10066978 0.83 CA12 (0.77) MAOBCA9CA12CA1CA2
SCHEMBL19064581 0.83 CA12 (0.67) MAOBCA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200330410-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-10-22 US disclosed
EP-2373758-B1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2017-05-10 EP disclosed
US-8547625-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
EP-2373758-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-10-12 EP disclosed
US-7911676-B2 Photochromic optical articles prepared with reversible thermochromic materials TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-20110051223-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (FL) 2011-03-03 US disclosed
WO-2010074969-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-07-01 WO disclosed
US-20100149620-A1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2010-06-17 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-20200330410-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 MAOB 1723/4885THRB 659/4885CA9 3620/4885

“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.