SCHEMBL149947

SCHEMBL149947

O=Cc1ccc(OCCO)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
NTSR1 P30989 1/20 0.41
CCR6 P51684 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL30434850 1.00 IDO1 (0.60) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8050760 0.91 IDO1 (0.50) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL10457902 0.87 ALDH1A1 (0.50) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9570558 0.86 ALDH1A1 (0.53) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL12603985 0.84 IDO1 (0.81) IDO1ALDH1A1HPGDHTTCNR2
SCHEMBL3248566 0.83 CNR1 (0.50) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2651404 0.83 ALDH1A1 (0.50) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2650270 0.83 ALDH1A1 (0.50) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1133675 0.82 ALDH1A1 (0.42) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2029698 0.82 ALDH1A1 (0.42) IDO1ALDH1A1HPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
WO-2013186612-A1 THE USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BET (BROMODOMAIN AND EXTRA TERMINAL DOMAIN) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-12-19 WO disclosed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 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 (5 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 IDO1 712/4885ALDH1A1 1042/4885HPGD 1252/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 IDO1 3147/4885ALDH1A1 3920/4885HPGD 2824/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 IDO1 712/4885ALDH1A1 1042/4885HPGD 1252/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 IDO1 712/4885ALDH1A1 1042/4885HPGD 1252/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 IDO1 712/4885ALDH1A1 1042/4885HPGD 1252/4885

“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.