SCHEMBL9976428

SCHEMBL9976428

CC(C)C(=O)OCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.49
MAOB P27338 3/20 0.47
MMP1 P03956 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
EPHX1 P07099 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
MAOA P21397 2/20 0.43

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
SCHEMBL15762727 0.90 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL13380665 0.84 KDM4E (0.48) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL24983721 0.82 ALDH1A1 (0.62) KDM4EKMT2AALDH1A1MEN1
SCHEMBL4457286 0.82 ALDH1A1 (0.48) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL24967267 0.82 ACACB (0.45) KDM4EKMT2AALDH1A1HPGDMEN1
SCHEMBL29339569 0.82 RXRA (0.46) KDM4EKMT2AMAPTALDH1A1MEN1
SCHEMBL27814526 0.82 KMT2A (0.48) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL28589056 0.82 KDM4E (0.47) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL28589062 0.82 KDM4E (0.47) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL23185452 0.81 KMT2A (0.48) KDM4EKMT2AMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-29 US disclosed
US-8779191-B2 Methods and compositions for preparing lisdexamfetamine and salts thereof CAMBREX CHARLES CITY, INC. (US) 2014-07-15 US disclosed
US-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 US disclosed
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof AVISTA PHARMA SOLUTIONS, INC. 2012-06-21 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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF PNMT, COMT, DDT KDM4E 167/4885KMT2A 34/4885MAPT 350/4885
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof SLC6A3, COMT, LPXN KDM4E 587/4885KMT2A 303/4885MAPT 60/4885
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 KDM4E 4346/4885KMT2A 4609/4885MAPT 1583/4885

“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.