SCHEMBL547529

SCHEMBL547529

O=Cc1c(C=O)c(C=O)c2c(C(=O)O)c3ccccc3cc2c1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ERN1 O75460 3/20 0.40
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
CDC25B P30305 2/20 0.38
CYP3A4 P08684 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL547982 0.89 KDM4E (0.46) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL547551 0.88 KDM4E (0.45) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL548272 0.79 KDM4E (0.47) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2356987 0.78 CYP1A2 (0.59) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL29221780 0.78 MEN1 (0.59) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3635848 0.78 CYP1A2 (0.59) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL547879 0.76 KDM4E (0.49) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL548551 0.76 KDM4E (0.49) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL547981 0.76 ALDH1A1 (0.45) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL547734 0.75 ERN1 (0.47) CYP1A2MEN1KMT2AKDM4EALDH1A1

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 CYP1A2 2962/4885MEN1 1441/4885KMT2A 1479/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 CYP1A2 2215/4885MEN1 1910/4885KMT2A 645/4885

“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.