SCHEMBL1322947

SCHEMBL1322947

COc1ccc(C(=O)CC(C)=O)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TSHR P16473 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CTNNB1 P35222 2/20 0.61
WNT3A P56704 2/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59

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
SCHEMBL11599111 0.93 MAPT (0.55) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL1659363 0.91 MAPT (0.71) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL11045656 0.89 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL16627198 0.86 TAS1R3 (0.54) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL3861897 0.86 MEN1 (0.64) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL30629388 0.86 CA12 (0.65) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL7380780 0.86 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL4438295 0.86 CA12 (0.65) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL16376271 0.85 HTT (0.63) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL10920479 0.85 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2018-04-19 US disclosed
US-9879007-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 US disclosed
US-9586955-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US disclosed
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 US disclosed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 US disclosed
WO-2004005287-A9 PYRAZOLOISOQUINOLINE DERIVATIVES FOR INHIBITING NFKAPPAB-INDUCING KINASE (NIK) AVENTIS PHARMA GMBH (DE) 2004-03-04 WO disclosed
EP-0073502-B1 METAL COMPLEXES HAVING AN ANTINEOPLASTIC ACTIVITY, AND MEDICAMENTS CONTAINING THESE COMPLEXES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-05-14 EP disclosed
WO-1984003042-A1 PROCESS FOR PRODUCING THERAPEUTICAL ANTINEOPLASTIC PREPARATIONS BYK GULDEN LOMBERG CHEM FAB (DE) 1984-08-16 WO disclosed
WO-1983000868-A1 METAL COMPLEXES HAVING AN ANTINEOPLASTIC ACTION, AND MEDICAMENTS CONTAINING THESE COMPLEXES KELLER, HEIMO, J. 1983-03-17 WO disclosed
EP-0073502-A1 Metal complexes having an antineoplastic activity, and medicaments containing these complexes Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-03-09 EP disclosed
US-4082807-A REACTING AN AROMATIC COMPOUND WITH AN ACETOACETYL FLUORIDE; HYDROGEN FLUORIDE HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed
US-3937737-A CHEMICAL INTERMEDIATES, DYES, PLASTICS, METAL COMPLEXES HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 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 (8 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 MAPT 330/4885ALDH1A1 1088/4885SMN1; SMN2 1/4885
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase NFKBIA, IKBKB, IKBKG MAPT 1692/4885ALDH1A1 3472/4885SMN1; SMN2 3029/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 MAPT 207/4885ALDH1A1 1461/4885SMN1; SMN2 1/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 MAPT 207/4885ALDH1A1 1461/4885SMN1; SMN2 1/4885
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha PDE4A, PDE4B, PDE3B MAPT 3397/4885ALDH1A1 445/4885SMN1; SMN2 2455/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 MAPT 2944/4885ALDH1A1 3249/4885SMN1; SMN2 1475/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 MAPT 207/4885ALDH1A1 1461/4885SMN1; SMN2 1/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 MAPT 265/4885ALDH1A1 1651/4885SMN1; SMN2 1/4885

“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.