SCHEMBL4809737

SCHEMBL4809737

COc1ccc(C(=O)C(O)c2ccc(Br)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 3/20 0.49
ATM Q13315 1/20 0.49
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
GSK3B P49841 1/20 0.45
POLB P06746 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
SCHEMBL68736 0.92 CES2 (0.55) RAB9AMAPTMEN1LMNAKMT2A
Methoxymethane SCHEMBL36596 0.90 CES2 (0.53) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL69238 0.86 CES2 (0.58) MEN1LMNAKMT2AALDH1A1CYP1A2
SCHEMBL6473480 0.85 MAPT (0.49) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL12168990 0.85 NPSR1 (0.56) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL5444947 0.84 HPGD (0.62) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL1927479 0.84 RAB9A (0.48) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL9128631 0.84 CA1 (0.49) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL13305517 0.84 RAB9A (0.62) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL29262742 0.83 LMNA (0.67) RAB9AMAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727316-B Benzofuran-2-one compound and preparation method and application thereof 武汉大学 2020-09-22 CN disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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 (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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 RAB9A 870/4885MAPT 964/4885MEN1 913/4885

“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.