SCHEMBL548218

SCHEMBL548218

O=C(O)C(=O)c1cccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
CDC25B P30305 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL2876805 0.82 NR4A1 (0.61) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL548399 0.81 HSD17B10 (0.55) NR4A1NR4A2NR4A3POLBALDH1A1
SCHEMBL28522365 0.80 NR4A1 (0.55) NR4A1NR4A2NR4A3CYP2C19ALDH1A1
SCHEMBL28985622 0.79 CDC25B (0.50) NR4A1NR4A2NR4A3PARP1ALDH1A1
SCHEMBL1600502 0.78 NR4A1 (0.69) NR4A1NR4A2NR4A3POLBCYP2C19
SCHEMBL30863852 0.78 NR4A1 (0.69) NR4A1NR4A2NR4A3POLBCYP2C19
SCHEMBL1645158 0.78 ALDH1A1 (0.58) NR4A1NR4A2NR4A3POLBCYP2C19
SCHEMBL28539627 0.77 NR4A1 (0.61) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL548063 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3CYP2C19ALDH1A1
SCHEMBL28513228 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3CYP2C19ALDH1A1

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 9 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
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.