SCHEMBL548063

SCHEMBL548063

O=C(O)C(=O)c1cccc2c1ccc1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
HPRT1 P00492 1/20 0.52
CDC25B P30305 1/20 0.49
WDR5 P61964 1/20 0.47
SOS1 Q07889 2/20 0.46
LDHA P00338 1/20 0.46
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 1/20 0.44
PLK1 P53350 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL28513228 1.00 NR4A1 (0.55) NR4A1NR4A2NR4A3HPRT1CDC25B
SCHEMBL30863852 0.88 NR4A1 (0.69) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL1600502 0.88 NR4A1 (0.69) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL1000484 0.85 NR4A1 (0.77) NR4A1NR4A2NR4A3HPRT1CDC25B
SCHEMBL1261457 0.85 NR4A1 (0.77) NR4A1NR4A2NR4A3HPRT1CDC25B
Naphthalene SCHEMBL30683594 0.83 NR4A1 (0.74) NR4A1NR4A2NR4A3HPRT1CDC25B
SCHEMBL8718849 0.83 NR4A1 (0.74) NR4A1NR4A2NR4A3HPRT1CDC25B
SCHEMBL27694419 0.82 CDC25B (0.63) NR4A1NR4A2NR4A3HPRT1CDC25B
SCHEMBL26180951 0.82 NR4A1 (0.52) NR4A1NR4A2NR4A3HPRT1CDC25B
SCHEMBL28522365 0.81 NR4A1 (0.55) NR4A1NR4A2NR4A3CDC25BWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP claimed
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 US disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP 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-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS NR4A1 419/4885NR4A2 1485/4885NR4A3 850/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 NR4A1 421/4885NR4A2 1307/4885NR4A3 1178/4885

“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.