SCHEMBL888681

SCHEMBL888681

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CTSD P07339 1/20 0.48
POLB P06746 2/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
ALOX5 P09917 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
SCHEMBL465969 0.85 TDP1 (0.61) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL27474118 0.84 L3MBTL1 (0.50) L3MBTL1TDP1HDAC3HDAC4HDAC1
Phosphine SCHEMBL28775755 0.82 TDP1 (0.58) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL9307280 0.82 L3MBTL1 (0.48) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL23032495 0.81 TDP1 (0.52) L3MBTL1TDP1POLB
SCHEMBL10120043 0.81 PTGS2 (0.52) POLBCYP2D6SRCLMNAMAPK1
SCHEMBL8461436 0.81 SRC (0.58) CYP2D6SRCLMNAMAPK1ALOX5
SCHEMBL9911551 0.81 PTGS2 (0.52) POLBCYP2D6SRCLMNAMAPK1
SCHEMBL10139331 0.81 PTGS2 (0.52) POLBCYP2D6SRCLMNAMAPK1
SCHEMBL396389 0.80 L3MBTL1 (0.56) L3MBTL1TDP1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022147214-A2 CYCLIC-DISULFIDE MODIFIED PHOSPHATE BASED OLIGONUCLEOTIDE PRODRUGS ALNYLAM PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
US-11078164-B1 PTEN binding compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2021-08-03 US disclosed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10202602-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2019-02-12 US disclosed
US-10017763-B2 dsRNA molecules comprising oligonucleotide analogs having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US 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-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests BASF SE (DE) 2009-03-19 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (11 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP L3MBTL1 1897/4885TDP1 3248/4885HDAC3 2385/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS L3MBTL1 3763/4885TDP1 3331/4885HDAC3 1425/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L L3MBTL1 1563/4885TDP1 3201/4885HDAC3 14/4885
US-10202602-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups NSUN2, RTCB, UPF1 L3MBTL1 13/4885TDP1 407/4885HDAC3 1289/4885
US-11078164-B1 PTEN binding compounds, formulations, and uses thereof PTEN, EYA2, PIK3CA L3MBTL1 2515/4885TDP1 1015/4885HDAC3 1138/4885
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 L3MBTL1 3754/4885TDP1 1361/4885HDAC3 3730/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 L3MBTL1 2703/4885TDP1 4102/4885HDAC3 1133/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 L3MBTL1 2366/4885TDP1 1869/4885HDAC3 1077/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS L3MBTL1 3763/4885TDP1 3331/4885HDAC3 1425/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP L3MBTL1 1897/4885TDP1 3248/4885HDAC3 2385/4885
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests AHCYL1, AHCY, TST L3MBTL1 21/4885TDP1 1495/4885HDAC3 4639/4885

“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.