SCHEMBL2830762

SCHEMBL2830762

COC(=O)CCCC(=O)Nc1ccc(I)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
PTPRC P08575 3/20 0.56
HDAC8 Q9BY41 3/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL31635262 0.86 L3MBTL1 (0.69) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL6663354 0.83 MEN1 (0.53) L3MBTL1HTTALDH1A1HPGDMEN1
SCHEMBL28746319 0.83 L3MBTL1 (0.61) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL28746329 0.81 L3MBTL1 (0.59) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL1355675 0.81 L3MBTL1 (0.58) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL13529755 0.81 HDAC8 (0.64) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL1797542 0.81 L3MBTL1 (0.67) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL7308833 0.80 L3MBTL1 (0.58) L3MBTL1HTTALDH1A1HPGDPTPRC
SCHEMBL15874435 0.80 L3MBTL1 (0.51) L3MBTL1HDAC8MEN1KMT2AHDAC3
SCHEMBL541048 0.80 LMNA (0.68) L3MBTL1ALDH1A1PTPRCHDAC8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228087-B1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS SCRIPPS RESEARCH INST (US) 2010-06-09 EP disclosed
EP-1228087-B1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS SCRIPPS RESEARCH INST (US) 2010-06-09 EP disclosed
US-7666658-B1 Antibody catalysis of enantio- and diastereo-selective aldol reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-23 US disclosed
US-7666658-B1 Antibody catalysis of enantio- and diastereo-selective aldol reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-23 US disclosed
US-7666658-B1 Antibody catalysis of enantio- and diastereo-selective aldol reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-23 US disclosed
EP-1228087-A4 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS SCRIPPS RESEARCH INST (US) 2004-11-03 EP disclosed
EP-1228087-A1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS The Scripps Research Institute (US) 2002-08-07 EP disclosed
US-6309881-B2 ALDEHYDE AND KETONE REACTANTS ARE CONTACTED WITH ANTIBODY MOLECULES OR MOLECULES CONTAINING ANTIBODY COMBINING SITE PORTIONS THAT CATALYZE AN ALDOL ADDITION REACTION THE SCRIPPS RESEARCH INSTITUTE 2001-10-30 US disclosed
US-20010018201-A1 Antibody catalysis of enantio- and diastereo-selective aldol reactions BARBAS CARLOS F (US) 2001-08-30 US disclosed
WO-2001027145-A1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2001-04-19 WO disclosed
US-6210938-B1 CONTACTING ALDEHYDE AND KETONE REACTANTS WITH CATALYTIC ANTIBODIES PRODUCED BY IMMUNIZING SUBJECT WITH STERILE SOLUTION OF ALDOL TRANSITION STATE IMMUNOCONJUGATE INCLUDING A SULFONE BETA-DIKETONE HAPTEN THE SCRIPPS RESEARCH INSTITUTE 2001-04-03 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-20010018201-A1 Antibody catalysis of enantio- and diastereo-selective aldol reactions ALDOA, DERA, ADH1C L3MBTL1 1908/4885HTT 3537/4885ALDH1A1 63/4885

“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.