SCHEMBL163865

SCHEMBL163865

CCOC(=O)c1cc(O)c2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
PTPN11 Q06124 2/20 0.55
BCL2L1 Q07817 1/20 0.54
CDC25B P30305 4/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HCRTR1 O43613 1/20 0.50

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
SCHEMBL163060 0.88 LMNA (0.57) CA12CA1CA2CA7CA9
SCHEMBL162778 0.85 ESR1 (0.64) CYP1A2CYP2C19SMN1; SMN2CYP2D6ESR1
SCHEMBL15935996 0.84 CDC25B (0.60) CA12CA1CA2CA7CA9
SCHEMBL163864 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL164016 0.84 ALDH1A1 (0.51) PTPN11MAPTALDH1A1KDM4ERAB9A
SCHEMBL13057633 0.83 BCL2L1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL669833 0.83 NQO2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL161776 0.82 LMNA (0.56) CA12CA1CA2CA7CA9
SCHEMBL16479443 0.82 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2805615 0.81 BCL2L1 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448869-A HYDROXY AND CARBOXY OR ACYL SUBSTITUTED BENZENE OR NAPHTHALENE FUJI PHOTO FILM CO., LTD. (JP) 1984-05-15 US claimed
EP-2371927-B1 Fluorescent dye compounds, conjugates and uses thereof LIFE TECHNOLOGIES CORP (US) 2020-03-11 EP disclosed
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 EP disclosed
WO-2018178226-A1 MCL-1 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2018-10-04 WO disclosed
EP-1802727-B1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF LIFE TECHNOLOGIES CORP (US) 2018-04-04 EP disclosed
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 EP disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-9745336-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2017-08-29 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-7256292-B2 Fluorescent dye compounds, conjugates and uses thereof APPLERA CORPORATION (US) 2007-08-14 US disclosed
EP-1802727-A1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF Applera Corporation (US) 2007-07-04 EP disclosed
US-20060167257-A1 Acridinone based multiple ring fluorescent dyes, linkable forms of fluorescent dyes, energy transfer dyes, reagents labeled with fluorescent dyes APPLERA CORPORATION (US) 2006-07-27 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2006034036-A1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF APPLERA CORPORATION (US) 2006-03-30 WO disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
US-4448869-A HYDROXY AND CARBOXY OR ACYL SUBSTITUTED BENZENE OR NAPHTHALENE FUJI PHOTO FILM CO., LTD. (JP) 1984-05-15 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 (2 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-20060167257-A1 Acridinone based multiple ring fluorescent dyes, linkable forms of fluorescent dyes, energy transfer dyes, reagents labeled with fluorescent dyes ACR, GFPT1, PFAS CA12 4537/4885CA1 4630/4885CA2 3877/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 CA12 2820/4885CA1 124/4885CA2 1585/4885

“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.