SCHEMBL3038749

SCHEMBL3038749

COC(=O)C=CC(=O)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MAOA P21397 2/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MAPT P10636 10/20 0.51
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.51
CAPN1 P07384 1/20 0.51
CTSB P07858 1/20 0.51
PKM P14618 4/20 0.50
POLB P06746 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL3038740 1.00 MAOB (0.58) MAOBMAOACES2CES1MAPT
SCHEMBL6993037 0.85 MAPT (0.62) MAOBMAOACES2CES1MAPT
SCHEMBL6993038 0.85 MAPT (0.62) MAOBMAOACES2CES1MAPT
SCHEMBL10542828 0.84 CES2 (0.53) MAOBMAOACES2CES1MAPT
SCHEMBL29098732 0.82 MAPT (0.57) MAOBMAOAMAPTRAB9ANPC1
SCHEMBL21683351 0.81 MAOB (0.54) MAOBMAOAMAPTRAB9ANPC1
SCHEMBL10352735 0.78 MAPT (0.56) MAOBMAOACES2CES1MAPT
SCHEMBL10352737 0.78 MAPT (0.56) MAOBMAOACES2CES1MAPT
SCHEMBL10523362 0.78 MAPT (0.60) MAOBMAOACES2CES1MAPT
SCHEMBL11331924 0.78 MAPT (0.60) MAOBMAOACES2CES1MAPT

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-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 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-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS IDH1, MDM4, PCNA MAOB 1984/4885MAOA 1922/4885CES2 138/4885

“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.