SCHEMBL7440342

SCHEMBL7440342

COc1cc2cc(=O)[nH]c(C)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.73
▸ PDE3A Q14432 12/20 0.73
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ NQO2 P16083 3/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42

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
SCHEMBL16740907 0.75 LMNA (0.64) PDE3BPDE3ALMNAALDH1A1KDM4E
SCHEMBL19146396 0.72 NQO2 (0.60) PDE3BPDE3ALMNAALDH1A1NQO2
SCHEMBL16747724 0.69 LMNA (0.72) PDE3BPDE3ALMNAALDH1A1KDM4E
SCHEMBL31664560 0.69 KDM4E (0.59) PDE3BPDE3ALMNAALDH1A1NQO2
SCHEMBL16740939 0.69 PDE3B (1.00) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL9984747 0.69 PDE3B (0.51) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL16740896 0.67 ALDH1A1 (1.00) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL16740903 0.67 PDE3B (0.65) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL25903984 0.66 LMNA (0.46) PDE3BPDE3ALMNAALDH1A1NQO2
SCHEMBL16740923 0.66 PDE3B (0.74) PDE3BPDE3APDE10A

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
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — WO disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — WO disclosed
EP-0252721-B1 4-NITROGEN SUBSTITUTED ISOQUINOLINOL COMPOUNDS HAVING CARDIOTONIC, PHOSPHODIESTERASE FRACTION III INHIBITING PROPERTIES AND/OR RENAL VASODILATING PROPERTIES ORTHO PHARMACEUTICAL CORPORATION (US) 1991-10-02 — — EP disclosed
US-4880817-A O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 — — US disclosed
CN-87105724-A Have cardiac stimulant, suppress the different hydroxyquinoline compounds that the 4-nitrogen of the character of phosphodiesterase part III and/or kidney vasorelaxation character replaces — 1988-03-09 — — CN disclosed
EP-0252721-A1 4-Nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-13 — — EP disclosed
US-4714705-A 4-nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-22 — — US 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 (1 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-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 PDE3B 3943/4885PDE3A 3977/4885LMNA 3571/4885

“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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