SCHEMBL376513

SCHEMBL376513

O=Cc1ccc2[nH]c(CCO)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.45
▸ KIF11 P52732 2/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MTNR1A P48039 3/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ RHEB Q15382 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL31115552 1.00 CYP2A6 (0.45) CYP2A6KIF11BACE1MTNR1AMTNR1B
SCHEMBL378037 0.87 CYP2A6 (0.47) CYP2A6KIF11BACE1MTNR1AMTNR1B
SCHEMBL9009152 0.80 CYP2A6 (0.41) CYP2A6KIF11BACE1MTNR1AMTNR1B
SCHEMBL2648417 0.79 SIRT1 (0.47) CYP2A6KIF11BACE1MTNR1AMTNR1B
SCHEMBL28258093 0.76 CYP2A6 (0.44) CYP2A6KIF11BACE1SIRT1HDAC3
SCHEMBL616859 0.76 CYP2A6 (0.44) CYP2A6KIF11SIRT1LOXL2
SCHEMBL7257341 0.75 CYP19A1 (0.45) CYP2A6MTNR1AMTNR1BHDAC3HDAC1
SCHEMBL1500849 0.75 LOXL2 (0.64) SIRT1LOXL2RHEBKDM4ERAB9A
SCHEMBL1663549 0.75 CYP2A6 (0.50) CYP2A6MTNR1AMTNR1BSIRT1LOXL2
SCHEMBL1664310 0.74 HRH3 (0.50) BACE1MTNR1AMTNR1BSIRT1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 — — EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 — — US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 — — US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 — — US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 — — US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 — — US disclosed
CN-105859639-A NOVEL ANTI-INFLAMMATORY AGENTS 雷斯韦洛吉克斯公司 2016-08-17 — — CN disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 — — US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 — — US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 — — WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 — — US disclosed
CN-102427813-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-04-25 — — CN disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 — — US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 — — EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 — — 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 (8 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CYP2A6 480/4885KIF11 4421/4885BACE1 685/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 434/4885KIF11 4344/4885BACE1 688/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CYP2A6 4600/4885KIF11 3494/4885BACE1 1370/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CYP2A6 480/4885KIF11 4421/4885BACE1 685/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 480/4885KIF11 4421/4885BACE1 685/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CYP2A6 480/4885KIF11 4421/4885BACE1 685/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 434/4885KIF11 4344/4885BACE1 688/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 434/4885KIF11 4344/4885BACE1 688/4885

“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.

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