SCHEMBL3201351

SCHEMBL3201351

Cc1cc(Br)cc(C)c1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.49
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.46
FAAH O00519 2/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
MCL1 Q07820 1/20 0.45
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
PTPRB P23467 1/20 0.44
ELANE P08246 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
SCHEMBL3190087 0.85 MEN1 (0.59) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL2059355 0.84 CSNK2A2 (0.49) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9722704 0.83 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL4292383 0.83 MEN1 (0.42) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL2058911 0.82 THRA (0.47) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL15516697 0.81 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL11570516 0.81 KDM4E (0.55) KMT2AKDM4ETSHRPTGDR2MCL1
SCHEMBL8240454 0.81 MCL1 (0.45) KMT2AKDM4EHSD17B10ALOX15TSHR
SCHEMBL2059557 0.81 AGBL2 (0.46) KMT2AKDM4ESMN1; SMN2HSD17B10ALOX15
SCHEMBL14931907 0.81 MCL1 (0.45) KMT2AKDM4EHSD17B10PTGDR2MCL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
CN-101389613-B Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO 2011-10-12 CN disclosed
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
CN-101389613-A Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO (US) 2009-03-18 CN disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
US-6699890-B2 N-SUBSTITUTED DIETHER ANILINE AND DIETHER DIPHENYLAMINE DERIVATIVES MEMORY PHARMACEUTICALS CORP. 2004-03-02 US disclosed
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
US-20020151566-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2002-10-17 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 (6 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-20020151566-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A KMT2A 1692/4885MEN1 3293/4885ALDH1A1 148/4885
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC KMT2A 1800/4885MEN1 4377/4885ALDH1A1 999/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 KMT2A 2529/4885MEN1 970/4885ALDH1A1 4184/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 KMT2A 2529/4885MEN1 970/4885ALDH1A1 4184/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A KMT2A 1978/4885MEN1 4242/4885ALDH1A1 180/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A KMT2A 1978/4885MEN1 4242/4885ALDH1A1 180/4885

“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.