SCHEMBL145871

SCHEMBL145871

COc1cc(C=O)cc(OC)c1/C=C/C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
KDM4E B2RXH2 7/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 2/20 0.60
PKM P14618 2/20 0.60
PTGS2 P35354 2/20 0.60
HTR1A P08908 1/20 0.60
HTR2C P28335 1/20 0.60
PTGS1 P23219 1/20 0.60
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
SNCA P37840 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55

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
SCHEMBL145872 1.00 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL150676 0.85 EPHX2 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL150675 0.85 EPHX2 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL715946 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL29048769 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL290189 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL23122299 0.81 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL27851648 0.80 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL19478277 0.80 KDM4E (0.60) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL5884005 0.78 PTGS2 (0.69) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10

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 ALDH1A1 1042/4885SMN1; SMN2 4428/4885KDM4E 3020/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 ALDH1A1 3920/4885SMN1; SMN2 1377/4885KDM4E 342/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885SMN1; SMN2 4428/4885KDM4E 3020/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885SMN1; SMN2 4428/4885KDM4E 3020/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885SMN1; SMN2 4428/4885KDM4E 3020/4885

“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.