SCHEMBL587124

SCHEMBL587124

Cc1c2ccccc2c2c3c(cccc13)C(=O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.54
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
PABPC1 P11940 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CES2 O00748 3/20 0.42
BCHE P06276 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MCL1 Q07820 1/20 0.42
DNMT1 P26358 2/20 0.42
RAB9A P51151 4/20 0.40
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HIF1A Q16665 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL12179771 0.85 CES1 (0.50) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL8547705 0.79 TYMS (0.46) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL8549161 0.78 CES1 (0.54) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL3183695 0.78 CES1 (0.54) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL12179533 0.73 CES1 (0.49) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL25868685 0.72 CYP1B1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL14922761 0.71 SMN1; SMN2 (0.47) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL14330793 0.70 TTR (0.46) MAPTSMN1; SMN2PABPC1KDM4EALDH1A1
SCHEMBL12179578 0.70 CES1 (0.50) CES1MAPTSMN1; SMN2PABPC1KDM4E
SCHEMBL2156357 0.70 CES1 (1.00) CES1MAPTSMN1; SMN2PABPC1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053914-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-08-10 EP disclosed
US-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-02-04 US disclosed
US-9115063-B2 Fluorophore and fluorescent sensor compound containing same LIGHTSHIP MEDICAL LIMITED (GB) 2015-08-25 US disclosed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 US disclosed
EP-2417102-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME Glysure Ltd (GB) 2012-02-15 EP disclosed
WO-2010116142-A2 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME GLYSURE LTD (GB) 2010-10-14 WO disclosed
EP-0536208-B1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RES CORP TECHNOLOGIES INC (US) 1998-01-21 EP disclosed
US-5635506-A ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-03 US disclosed
EP-0660824-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1995-07-05 EP disclosed
WO-1994006771-A9 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS 1994-06-09 WO disclosed
WO-1994006771-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-03-31 WO disclosed
EP-0536208-A4 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS 1993-05-05 EP disclosed
EP-0536208-A1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-04-14 EP disclosed
WO-1992000281-A1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-09 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 (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-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 CES1 2974/4885MAPT 2940/4885SMN1; SMN2 4516/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 CES1 2930/4885MAPT 2903/4885SMN1; SMN2 4489/4885

“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.