SCHEMBL547528

SCHEMBL547528

O=Cc1c(C=O)c(C(=O)O)c2cc3cccc(C=O)c3cc2c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERN1 O75460 7/20 0.36
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL548272 0.85 KDM4E (0.47) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL547879 0.82 KDM4E (0.49) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL548551 0.82 KDM4E (0.49) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL547530 0.77 PTPN1 (0.51) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL548664 0.74 ERN1 (0.36) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL2356987 0.74 CYP1A2 (0.59) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL1817898 0.74 MEN1 (0.48) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL547540 0.72 KDM4E (0.47) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL547529 0.72 CYP1A2 (0.56) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL548198 0.71 KDM4E (0.46) KDM4EMEN1ALDH1A1CYP1A2GLA

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 KDM4E 165/4885MEN1 1441/4885ALDH1A1 4594/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 KDM4E 234/4885MEN1 1910/4885ALDH1A1 1078/4885

“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.