SCHEMBL3563509

SCHEMBL3563509

COCCOc1ccc(C=O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.65
▸ AOX1 Q06278 1/20 0.65
▸ FDPS P14324 1/20 0.61
▸ HPGD P15428 7/20 0.51
▸ TRIM24 O15164 1/20 0.51
▸ ALDH5A1 P51649 1/20 0.51
▸ ABAT P80404 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TRIM33 Q9UPN9 1/20 0.51
▸ MAPT P10636 8/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46

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
SCHEMBL19389647 0.95 ALDH1A1 (0.59) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL14147477 0.95 ALDH1A1 (0.59) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL15952644 0.92 ALDH1A1 (0.63) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL1515911 0.87 ALDH1A1 (0.69) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL9454852 0.85 ALDH1A1 (0.67) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL1425341 0.85 ALDH1A1 (0.62) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL482374 0.85 FDPS (0.77) ALDH1A1FDPSHPGDTDP1MAPT
SCHEMBL16472557 0.85 ALDH1A1 (0.61) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL15853568 0.85 ALDH1A1 (0.61) ALDH1A1AOX1FDPSHPGDTRIM24
SCHEMBL15952047 0.84 ALDH1A1 (0.57) ALDH1A1AOX1FDPSHPGDTRIM24

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248837-A1 Technology for Modulating Targeting Chimeras Induced by Cell-Penetrating Peptide and Application Thereof LIU, MIAO (CN) 2023-08-10 — — US disclosed
EP-3184520-B1 SALT OF MONOCYCLIC PYRIDINE DERIVATIVE AND CRYSTAL THEREOF EISAI R&D MAN CO LTD (JP) 2022-03-23 — — EP disclosed
CN-106660997-B Salts of monocyclic pyridine derivatives and crystals thereof 卫材R&D管理有限公司 2019-05-21 — — CN disclosed
US-9951047-B2 Salt of monocyclic pyridine derivative and crystal thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-24 — — US disclosed
US-9951047-B2 Salt of monocyclic pyridine derivative and crystal thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-24 — — US disclosed
US-9951047-B2 Salt of monocyclic pyridine derivative and crystal thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-24 — — US disclosed
US-20170217935-A1 SALT OF MONOCYCLIC PYRIDINE DERIVATIVE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217935-A1 SALT OF MONOCYCLIC PYRIDINE DERIVATIVE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217935-A1 SALT OF MONOCYCLIC PYRIDINE DERIVATIVE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-03 — — US disclosed
EP-3184520-A1 SALT OF MONOCYCLIC PYRIDINE DERIVATIVE AND CRYSTAL THEREOF Eisai R&D Management Co., Ltd. (JP) 2017-06-28 — — EP disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 — — CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 — — EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 — — WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 — — 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-20170217935-A1 SALT OF MONOCYCLIC PYRIDINE DERIVATIVE AND CRYSTAL THEREOF MPST, SLC25A1, SLC16A1 ALDH1A1 461/4885AOX1 2405/4885FDPS 419/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 ALDH1A1 61/4885AOX1 213/4885FDPS 1238/4885
US-20230248837-A1 Technology for Modulating Targeting Chimeras Induced by Cell-Penetrating Peptide and Application Thereof VIP, GHITM, MYCBP ALDH1A1 4851/4885AOX1 4755/4885FDPS 1690/4885

“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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