SCHEMBL546728

SCHEMBL546728

O=CC1=C(C=O)c2c(C(=O)O)ccc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
WDR5 P61964 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 3/20 0.39
SOS1 Q07889 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL548324 0.82 HSD17B10 (0.44) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29114348 0.77 HSD17B10 (0.61) HSD17B10WDR5ALDH1A1KMT2AKDM4E
SCHEMBL10011731 0.77 HSD17B10 (0.67) HSD17B10WDR5ALDH1A1KMT2AKDM4E
SCHEMBL548271 0.77 PARP1 (0.37) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL547828 0.75 ALDH1A1 (0.54) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL547794 0.75 WDR5 (0.39) HSD17B10WDR5ALDH1A1KMT2AKDM4E
SCHEMBL28382532 0.74 HNF4A (0.54) HSD17B10WDR5ALDH1A1KMT2AKDM4E
SCHEMBL12486117 0.73 HSD17B10 (0.47) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL546727 0.73 HSD17B10 (0.40) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3828906 0.70 HSD17B10 (0.47) HSD17B10WDR5ALDH1A1KMT2AKDM4E

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 HSD17B10 4211/4885WDR5 591/4885ALDH1A1 4594/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 HSD17B10 3495/4885WDR5 1123/4885ALDH1A1 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.