SCHEMBL5093641

SCHEMBL5093641

OCc1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
SRD5A2 P31213 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MAOA P21397 3/20 0.62
MAOB P27338 3/20 0.62
PDGFRB P09619 1/20 0.61
PDGFRA P16234 1/20 0.61
RHEB Q15382 1/20 0.59
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
ALOX5 P09917 1/20 0.55
FLT3 P36888 1/20 0.54
CFD P00746 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
AURKA O14965 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
SCHEMBL2926496 0.86 RHEB (0.53) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL400512 0.86 LOXL2 (0.62) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL15141030 0.85 SRD5A2 (0.68) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL852375 0.84 KDM4E (0.67) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL8187385 0.82 MAOA (0.59) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL5097564 0.82 ALDH1A1 (0.64) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL853596 0.81 KDM4E (0.62) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL6990842 0.80 MAOB (0.57) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL28798233 0.79 KDM4E (0.64) CYP1A2KDM4EALDH1A1CYP2C9HPGD
SCHEMBL5123477 0.79 KDM4E (0.64) CYP1A2KDM4EALDH1A1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 WO disclosed
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
CN-1726029-A Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (pai-1) WYETH CORP (US) 2006-01-25 CN 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 (3 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 CYP1A2 728/4885KDM4E 1067/4885ALDH1A1 1254/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 CYP1A2 819/4885KDM4E 2810/4885ALDH1A1 783/4885
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 CYP1A2 1285/4885KDM4E 2176/4885ALDH1A1 1752/4885

“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.