SCHEMBL5097564

SCHEMBL5097564

CC(=O)OCc1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ SRD5A2 P31213 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ PDGFRB P09619 1/20 0.60
▸ PDGFRA P16234 1/20 0.60
▸ MAOB P27338 4/20 0.58
▸ MAOA P21397 1/20 0.58
▸ FLT3 P36888 1/20 0.56
▸ CFD P00746 1/20 0.49
▸ ALOX5 P09917 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GABRA1 P14867 1/20 0.47

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
SCHEMBL15141030 0.84 SRD5A2 (0.68) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL852375 0.82 KDM4E (0.67) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL853596 0.82 KDM4E (0.62) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL11623541 0.82 MTNR1A (0.62) ALDH1A1KDM4ECYP1A2CYP2C9HPGD
SCHEMBL5093641 0.82 CYP1A2 (0.65) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL13133298 0.81 KDM4E (0.81) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL9532326 0.81 ALDH1A1 (0.58) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL853304 0.81 KDM4E (0.58) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL853406 0.81 KDM4E (0.58) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9
SCHEMBL853651 0.80 KDM4E (0.60) ALDH1A1SRD5A2KDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459478-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-12-02 — — US disclosed
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-11-30 — — US disclosed
US-7101903-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitiors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-09-05 — — US disclosed
EP-1569639-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 — — EP disclosed
US-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis WYETH (US) 2005-05-26 — — US disclosed
WO-2004052893-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AND 3-OXOACETIC ACID SUBSTITUTED 2-HYDROXYMETHYLINDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 — — 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 (2 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-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis FGB, SERPINE1, MMP1 ALDH1A1 1254/4885SRD5A2 1288/4885KDM4E 1067/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 ALDH1A1 783/4885SRD5A2 1451/4885KDM4E 2810/4885

“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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