SCHEMBL548399

SCHEMBL548399

O=C(O)C(=O)c1ccc2ccc3cccc4c5ccccc5c1c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 3/20 0.55
HPGD P15428 3/20 0.55
THRB P10828 1/20 0.55
WDR5 P61964 1/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
LDHA P00338 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL28522365 0.82 NR4A1 (0.55) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL548218 0.81 NR4A1 (0.47) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL547611 0.80 ALDH1A1 (0.60) HSD17B10ALDH1A1CYP1A2HPGDTHRB
Benzo[E]Pyrene SCHEMBL27930636 0.77 ALDH1A1 (0.70) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29675165 0.77 HSD17B10 (0.55) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL781875 0.77 HSD17B10 (0.55) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL4908831 0.76 ALDH1A1 (0.45) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL28687360 0.75 HSD17B10 (0.53) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL548063 0.75 NR4A1 (0.55) HSD17B10ALDH1A1CYP1A2HPGDWDR5
SCHEMBL28513228 0.75 NR4A1 (0.55) HSD17B10ALDH1A1CYP1A2HPGDWDR5

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 HSD17B10 4211/4885ALDH1A1 4594/4885CYP1A2 2962/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 HSD17B10 3495/4885ALDH1A1 1078/4885CYP1A2 2215/4885

“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.