SCHEMBL327378

SCHEMBL327378

CCC(=O)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
EPHX1 P07099 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 3/20 0.36
EPHX2 P34913 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 2/20 0.35
HSD11B1 P28845 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
SCHEMBL6662692 0.98 HPGD (0.47) KMT2AEPHX1HPGDTDP1NPC1
SCHEMBL3846912 0.98 HPGD (0.47) KMT2AEPHX1HPGDTDP1NPC1
SCHEMBL14751461 0.95
SCHEMBL8618756 0.90
SCHEMBL19867672 0.87 KMT2A (0.38) KMT2AEPHX1HPGDTDP1NPC1
SCHEMBL8106988 0.87 HPGD (0.42) KMT2AEPHX1HPGDTDP1NPC1
Thiophene SCHEMBL27503885 0.84 EPHX2 (0.36) KMT2AEPHX1HPGDTDP1NPC1
SCHEMBL3116167 0.84 EPHX1 (0.50) KMT2AEPHX1HPGDNPC1EPHX2
Thiophene SCHEMBL27537280 0.83 EPHX2 (0.38) KMT2AEPHX1HPGDTDP1NPC1
SCHEMBL7945281 0.81 EPHX1 (0.54) KMT2AEPHX1HPGDNPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338588-A1 Granzyme B Directed Imaging and Therapy THE GENERAL HOSPITAL CORPORATION 2023-10-26 US disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-20190146340-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2019-05-16 US disclosed
US-9777280-B2 Compositions and methods for 3-hydroxypropionic acid production CARGILL, INCORPORATED (US) 2017-10-03 US disclosed
US-9780121-B2 Touch sensor, touch panel, and manufacturing method of touch panel SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-03 US disclosed
WO-2017140336-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2017-08-24 WO disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
US-20150261333-A1 Touch Panel SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-09-17 US disclosed
US-20150255518-A1 Touch Sensor, Touch Panel, and Manufacturing Method of Touch Panel SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-09-10 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20090149349-A1 RECOMBINANT ADENOVIRUSES PREPARATION AND ADENOVIRUS BANKS AVENTIS PHARMA S.A. (FR) 2009-06-11 US disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
EP-0207345-B1 4,7-Dihydrothieno[2,3-b]pyridine derivatives, process thereof, and agents for cardiovascular diseases SHIONOGI & CO., LTD. (JP) 1992-01-22 EP disclosed
US-4703051-A CALCIUM CHANNEL BLOCKERS; HYPOTENSIVES, VASODILATORS SHIONOGI & CO., LTD. (JP) 1987-10-27 US disclosed
EP-0207345-A2 4,7-Dihydrothieno[2,3-b]pyridine derivatives, process thereof, and agents for cardiovascular diseases SHIONOGI & CO., LTD. (JP) 1987-01-07 EP 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 (7 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-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR HPN, HCCS, SPINT2 KMT2A 1288/4885EPHX1 180/4885HPGD 174/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KMT2A 556/4885EPHX1 1127/4885HPGD 103/4885
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD KMT2A 2390/4885EPHX1 688/4885HPGD 853/4885
US-20230338588-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 KMT2A 4798/4885EPHX1 4155/4885HPGD 2610/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD KMT2A 2412/4885EPHX1 836/4885HPGD 470/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 KMT2A 2252/4885EPHX1 412/4885HPGD 237/4885
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.