SCHEMBL2021946

SCHEMBL2021946

CC(Oc1ccc2sc3ccccc3c(=O)c2c1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 5/20 0.63
TDP1 Q9NUW8 2/20 0.63
NPC1 O15118 2/20 0.63
MAPT P10636 2/20 0.63
RAB9A P51151 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PTPN7 P35236 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN12 Q05209 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
HPGD P15428 4/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL25341613 0.86 MAPT (0.70) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL17304836 0.83 KDM4E (0.59) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL10962265 0.80 MAPT (0.69) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL19647434 0.79 MAPT (0.60) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL3233829 0.79 MAPT (0.68) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL30998124 0.79 MAPT (0.68) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL15549095 0.78 KMT2A (0.50) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL29372602 0.78 ALDH1A1 (1.00) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL29359913 0.78 ALDH1A1 (1.00) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL1880565 0.78 ALDH1A1 (1.00) KDM4EALDH1A1TDP1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148980-B1 WATER-BASED UV INKJET INK SUN CHEMICAL CORP (US) 2020-12-09 EP disclosed
US-9845400-B2 Water-based UV inkjet ink SUN CHEMICAL CORPORATION (US) 2017-12-19 US disclosed
US-9845400-B2 Water-based UV inkjet ink SUN CHEMICAL CORPORATION (US) 2017-12-19 US disclosed
US-20170107386-A1 WATER-BASED UV INKJET INK SUN CHEMICAL CORPORATION (US) 2017-04-20 US disclosed
US-20170107386-A1 WATER-BASED UV INKJET INK SUN CHEMICAL CORPORATION (US) 2017-04-20 US disclosed
WO-2015183719-A1 WATER-BASED UV INKJET INK SUN CHEMICAL CORPORATION (US) 2015-12-03 WO disclosed
US-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 US disclosed
US-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 US disclosed
US-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 US disclosed
WO-2010029017-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 WO disclosed
WO-2010029016-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 WO disclosed
EP-2161290-A1 Radiation curable compositions Agfa Graphics N.V. (BE) 2010-03-10 EP disclosed
EP-2161264-A1 Polymerizable photoinitiators and radiation curable compositions Agfa Graphics N.V. (BE) 2010-03-10 EP disclosed
WO-2010015935-A2 UNSATURATED CINACALCET SALTS AND PROCESSES FOR PREPARING CINACALCET HYDROCHLORIDE ACTAVIS GROUP PTC EHF (IS) 2010-02-11 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 (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-20110159203-A1 RADIATION CURABLE COMPOSITIONS CCNH, ERH, RAD1 KDM4E 1800/4885ALDH1A1 1459/4885TDP1 551/4885
US-20170107386-A1 WATER-BASED UV INKJET INK CCNT1, CCNT2, WDR91 KDM4E 380/4885ALDH1A1 63/4885TDP1 761/4885
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS RAD52, CCNH, TOP2B KDM4E 1114/4885ALDH1A1 1904/4885TDP1 214/4885

“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.