SCHEMBL547550

SCHEMBL547550

O=Cc1c(C=O)c(C=O)c2c(C=O)c3cc4cc5ccccc5cc4cc3cc2c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ERN1 O75460 4/20 0.34
GAA P10253 1/20 0.33
CDC25B P30305 1/20 0.33
PDE10A Q9Y233 1/20 0.32
IDO1 P14902 1/20 0.32
PRNP P04156 1/20 0.32
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 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
SCHEMBL547981 0.99 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL547879 0.85 KDM4E (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL548551 0.85 KDM4E (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL547551 0.84 KDM4E (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL547982 0.82 KDM4E (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL548272 0.82 KDM4E (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL548198 0.79 KDM4E (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL547569 0.79 KDM4E (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL547540 0.78 KDM4E (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5149391 0.78 KDM4E (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A

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 8 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-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 ALDH1A1 4594/4885KDM4E 165/4885HPGD 2450/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885KDM4E 234/4885HPGD 3354/4885

“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.