SCHEMBL7917689

SCHEMBL7917689

CC(C)C(=O)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.42
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ALOX5 P09917 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL8228265 0.98 EPHX1 (0.45) KMT2AEPHX1HPGDSLC1A3SLC1A2
SCHEMBL801082 0.95 EPHX1 (0.38) KMT2AEPHX1HPGDSLC1A3SLC1A2
SCHEMBL15043696 0.93 EPHX1 (0.36) KMT2AEPHX1HPGDSLC1A3SLC1A2
SCHEMBL888752 0.90
Thiophene SCHEMBL27504247 0.85 HPGD (0.35) KMT2AEPHX1HPGDL3MBTL1NPC1
SCHEMBL26296878 0.84 EPHX1 (0.45) KMT2AEPHX1HPGDSLC1A3SLC1A2
Thiophene SCHEMBL27561996 0.84 HPGD (0.38) KMT2AEPHX1HPGDL3MBTL1NPC1
SCHEMBL27437036 0.83 KMT2A (0.41) KMT2AEPHX1HPGDL3MBTL1NPC1
SCHEMBL27437382 0.83 KMT2A (0.37) KMT2AEPHX1HPGDSLC1A3SLC1A2
SCHEMBL16233037 0.82 SHBG (0.35) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 WO disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
WO-2023196458-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2023-10-12 WO disclosed
US-11559590-B2 Granzyme B directed imaging and therapy THE GENERAL HOSPITAL CORPORATION (US) 2023-01-24 US disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2021-01-14 US disclosed
US-20190224348-A1 Granzyme B Directed Imaging and Therapy THE GENERAL HOSPITAL CORPORATION 2019-07-25 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 WO disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 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
WO-2003065987-A2 GRANZYME B INHIBITORS MERCK & CO., INC. (US) 2003-08-14 WO 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-11559590-B2 Granzyme B directed imaging and therapy GZMB, CTSB, PRF1 KMT2A 4798/4885EPHX1 4155/4885HPGD 2610/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KMT2A 3449/4885EPHX1 1446/4885HPGD 2426/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KMT2A 2807/4885EPHX1 2260/4885HPGD 570/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 KMT2A 415/4885EPHX1 4053/4885HPGD 4729/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 KMT2A 2807/4885EPHX1 2260/4885HPGD 570/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KMT2A 2807/4885EPHX1 2260/4885HPGD 570/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 KMT2A 2836/4885EPHX1 778/4885HPGD 907/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC KMT2A 2609/4885EPHX1 681/4885HPGD 478/4885
US-20190224348-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 KMT2A 4798/4885EPHX1 4155/4885HPGD 2610/4885
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 KMT2A 4818/4885EPHX1 1120/4885HPGD 2473/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KMT2A 3449/4885EPHX1 1446/4885HPGD 2426/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP KMT2A 2491/4885EPHX1 793/4885HPGD 455/4885

“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.