SCHEMBL2047680

SCHEMBL2047680

CCOC(OC)c1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
ACHE P22303 7/20 0.53
BCHE P06276 6/20 0.53
TYR P14679 1/20 0.47
ALDH1A1 P00352 6/20 0.42
CYP2A6 P11509 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.38

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
SCHEMBL895976 0.91 PTGS2 (0.62) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL3868897 0.85 TYR (0.58) TYRALDH1A1CYP2A6ALDH1A3ALDH3A1
SCHEMBL9879225 0.81 PTGS2 (0.56) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL9944620 0.78 TYR (0.55) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL1372415 0.77 ACHE (0.42) PTGS2ACHEBCHEALDH1A1NPC1
SCHEMBL6286470 0.76 TYR (0.48) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL14753648 0.76 TYR (0.44) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL7929312 0.76 PTGS2 (0.41) PTGS2ACHEBCHEALDH1A1
SCHEMBL5704661 0.75 L3MBTL1 (0.41) PTGS2ACHEBCHETSHR
SCHEMBL19543236 0.74 NQO1 (0.54) PTGS2ACHEBCHEALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2022-06-21 US disclosed
US-20210069191-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2021-03-11 US disclosed
US-10780088-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2020-09-22 US disclosed
US-20200261454-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2020-08-20 US disclosed
US-10543209-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2020-01-28 US disclosed
US-20180117045-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2018-05-03 US disclosed
US-9820985-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2017-11-21 US disclosed
EP-3241832-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Medivation Technologies, Inc. (US) 2017-11-08 EP disclosed
EP-2767537-B1 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES INC (US) 2017-04-12 EP disclosed
US-20150209357-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2015-07-30 US disclosed
US-20110237581-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2011-09-29 US disclosed
US-8012976-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2011-09-06 US disclosed
EP-2326650-A2 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BioMarin Pharmaceutical Inc. (US) 2011-06-01 EP disclosed
WO-2010017055-A2 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2010-02-11 WO disclosed
US-20100035883-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (10 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-20180117045-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-10780088-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20110237581-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-10543209-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20150209357-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20100035883-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC PTGS2 939/4885ACHE 781/4885BCHE 2009/4885
US-20200261454-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20210069191-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885

“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.