SCHEMBL1536465

SCHEMBL1536465

O=C(O)/C=C/c1cccc2c1OCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
PARP1 P09874 2/20 0.53
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NFKB1 P19838 1/20 0.46
CA4 P22748 1/20 0.46
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
HCAR2 Q8TDS4 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1536466 1.00 KDM4E (0.65) KDM4EPARP1CA1CA2NFKB1
SCHEMBL8488057 0.94 KDM4E (0.62) KDM4EPARP1CA1CA2NFKB1
SCHEMBL8488060 0.94 KDM4E (0.62) KDM4EPARP1CA1CA2NFKB1
SCHEMBL9015376 0.80 KDM4E (0.60) KDM4EPARP1CA1CA2NFKB1
SCHEMBL30558332 0.80 PARP1 (0.49) KDM4EPARP1
SCHEMBL17361478 0.80 PARP1 (0.49) KDM4EPARP1
SCHEMBL17368759 0.80 PARP1 (0.49) KDM4EPARP1
SCHEMBL9015375 0.80 KDM4E (0.60) KDM4EPARP1CA1CA2NFKB1
SCHEMBL17361480 0.80 PARP1 (0.49) KDM4EPARP1
SCHEMBL6680532 0.80 PARP1 (0.46) KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 US disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 US disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
EP-2914615-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-09 EP disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
US-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 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 (3 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885PARP1 3178/4885CA1 4261/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885PARP1 3178/4885CA1 4261/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KDM4E 2792/4885PARP1 2682/4885CA1 4222/4885

“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.