SCHEMBL10137801

SCHEMBL10137801

CC(C)C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
HNF4A P41235 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.46
PDK2 Q15119 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 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
SCHEMBL3552327 0.88 RXRA (0.48) BCAT2KMT2AMEN1SMN1; SMN2HNF4A
SCHEMBL11996604 0.85 SLC6A3 (0.61) BCAT2KMT2AMEN1SMN1; SMN2LTB4R2
SCHEMBL21682896 0.85 BCAT2 (0.53) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL28757569 0.84 ALDH1A1 (0.52) KMT2AMEN1HNF4AALDH1A1LTB4R2
SCHEMBL11996669 0.82 KMT2A (0.50) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL5937044 0.80 LTB4R2 (0.53) BCAT2KMT2AMEN1SMN1; SMN2HNF4A
SCHEMBL10308375 0.80 PDK2 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL28534106 0.80 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL28073219 0.80 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL1060795 0.79 BCAT2 (0.52) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG L-Base Co., Ltd. (KR) 2024-06-27 US disclosed
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20170327490-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-16 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
CN-101812142-A Double functionalized aromatic ketone compounds and photoinitiator containing same SHENZHEN YOUWEI CHEMICAL TECHNOLOGY CO LTD 2010-08-25 CN disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (12 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-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists HCRTR1, HCRTR2, OXTR BCAT2 3908/4885KMT2A 1658/4885MEN1 2963/4885
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER VIP, QPCT, TPT1 BCAT2 1652/4885KMT2A 1904/4885MEN1 2885/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP BCAT2 1041/4885KMT2A 3449/4885MEN1 4495/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS BCAT2 2308/4885KMT2A 4516/4885MEN1 4867/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS BCAT2 2308/4885KMT2A 4516/4885MEN1 4867/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP BCAT2 1041/4885KMT2A 3449/4885MEN1 4495/4885
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 BCAT2 2807/4885KMT2A 3284/4885MEN1 4741/4885
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG ALPG, SLC11A2, SGTA BCAT2 996/4885KMT2A 2703/4885MEN1 2417/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS BCAT2 2308/4885KMT2A 4516/4885MEN1 4867/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS BCAT2 2308/4885KMT2A 4516/4885MEN1 4867/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP BCAT2 1041/4885KMT2A 3449/4885MEN1 4495/4885
US-20170327490-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR BCAT2 3874/4885KMT2A 1364/4885MEN1 3175/4885

“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.