SCHEMBL547795

SCHEMBL547795

O=Cc1c(C(=O)O)ccc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
IDO1 P14902 1/20 0.47
LDHA P00338 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.45
GPR35 Q9HC97 2/20 0.44
POLB P06746 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44

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
SCHEMBL547541 0.87 IDO1 (0.47) WDR5IDO1ALDH1A1KDM4EHPGD
SCHEMBL548199 0.85 IDO1 (0.46) WDR5IDO1ALDH1A1KDM4EHPGD
SCHEMBL547570 0.85 IDO1 (0.46) WDR5IDO1ALDH1A1KDM4EHPGD
SCHEMBL547877 0.84 WDR5 (0.61) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL30683243 0.80 KDM4E (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28906694 0.79 CYP2D6 (0.51) WDR5IDO1LDHAALDH1A1KDM4E
SCHEMBL29564475 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9649985 0.79 WDR5 (0.69) WDR5IDO1LDHAALDH1A1KDM4E
SCHEMBL2371288 0.77 ERN1 (0.70) ERN1
SCHEMBL43510 0.77 KDM4E (0.60) WDR5IDO1LDHAALDH1A1KDM4E

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 WDR5 591/4885IDO1 4562/4885LDHA 4771/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 WDR5 1123/4885IDO1 3913/4885LDHA 4332/4885

“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.