SCHEMBL378068

SCHEMBL378068

COc1cc(C=O)cc(OCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
AHR P35869 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
STAT3 P40763 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL31115580 1.00 FFAR1 (0.45) FFAR1PPARGPPARDPPARAAHR
SCHEMBL5574940 0.87 ALDH1A1 (0.43) ALDH1A1FDPSTSHRGAAMAPT
SCHEMBL11683535 0.86 ALDH1A1 (0.42) AHRALDH1A1ESR1KDM4EGAA
Floverine SCHEMBL2109150 0.85 ALDH1A1 (0.52) AHRCYP1A1CYP1B1ALDH1A1CYP2A6
SCHEMBL1573275 0.85 ALDH1A1 (0.52) AHRCYP1A1CYP1B1ALDH1A1CYP2A6
SCHEMBL24993379 0.84 AHR (0.53) FFAR1PPARGPPARDPPARAAHR
SCHEMBL13411260 0.84 CYP1A1 (0.45) FFAR1PPARGPPARDPPARAAHR
SCHEMBL7147685 0.83 AHR (0.64) FFAR1PPARGPPARDPPARAAHR
SCHEMBL89112 0.83 AHR (0.47) FFAR1PPARGPPARDPPARAAHR
SCHEMBL26049024 0.83 TP53 (0.47) ALDH1A1NPC1RAB9ATDP1TSHR

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 14 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
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 FFAR1 220/4885PPARG 427/4885PPARD 769/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 FFAR1 167/4885PPARG 480/4885PPARD 713/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 FFAR1 3030/4885PPARG 249/4885PPARD 839/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 FFAR1 220/4885PPARG 427/4885PPARD 769/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 FFAR1 220/4885PPARG 427/4885PPARD 769/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 FFAR1 220/4885PPARG 427/4885PPARD 769/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 FFAR1 167/4885PPARG 480/4885PPARD 713/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 FFAR1 167/4885PPARG 480/4885PPARD 713/4885

“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.