SCHEMBL145841

SCHEMBL145841

COC(OC)c1cc2cc(C=O)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.45
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
FDPS P14324 1/20 0.35
APP P05067 3/20 0.35
PTGES O14684 2/20 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
SCHEMBL18224030 0.77 CYP2A6 (0.47) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL3777167 0.74 CYP2A6 (0.52) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL23775787 0.72 CYP2A6 (0.39) CYP2A6ALDH1A1TSHRHPGDFDPS
SCHEMBL6508799 0.72 ALDH1A1 (0.47) CYP2A6ALDH1A1HPGDTDP1
SCHEMBL5144216 0.72 CYP2A6 (0.65) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL10859564 0.72 CYP2D6 (0.47) CYP2A6ALDH1A1HPGDTDP1
SCHEMBL3929218 0.70 CYP2A6 (0.52) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL30861772 0.70 APP (0.59) CYP2A6ALDH1A1HPGDTDP1APP
SCHEMBL29214189 0.70 APP (0.59) CYP2A6ALDH1A1HPGDTDP1APP
SCHEMBL6683885 0.69 CYP2A6 (0.46) CYP2A6CHRM2CHRM4CHRM5CHRM1

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 CYP2A6 144/4885CHRM2 585/4885CHRM4 694/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CYP2A6 4600/4885CHRM2 3719/4885CHRM4 3910/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 144/4885CHRM2 585/4885CHRM4 694/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 144/4885CHRM2 585/4885CHRM4 694/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 144/4885CHRM2 585/4885CHRM4 694/4885

“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.