SCHEMBL547553

SCHEMBL547553

O=CC1=C(C(=O)O)c2cccc3cccc(c23)C1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TYMS P04818 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
AKR1B1 P15121 1/20 0.31
ALOX15 P16050 1/20 0.31
CARM1 Q86X55 1/20 0.30
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL548831 0.79 TYMS (0.35) HSD17B10L3MBTL1TYMSALDH1A1KDM4E
SCHEMBL547794 0.74 WDR5 (0.39) HSD17B10MEN1KMT2ARXFP1ALDH1A1
SCHEMBL27389792 0.72 ALDH1A1 (0.45) HSD17B10L3MBTL1TYMSALDH1A1KDM4E
SCHEMBL12486117 0.70 HSD17B10 (0.47) HSD17B10MEN1KMT2ACA12CA9
SCHEMBL901091 0.70 HSD17B10 (0.59) HSD17B10MEN1KMT2ACA12CA9
SCHEMBL5654311 0.68 MEN1 (0.34) HSD17B10MEN1KMT2AMAPT
SCHEMBL9390822 0.66 HSD17B10 (0.42) HSD17B10MEN1KMT2ACA12CA9
SCHEMBL547600 0.66 CYP2A6 (0.31)
SCHEMBL546727 0.64 HSD17B10 (0.40) HSD17B10MEN1KMT2ACA12CA9
SCHEMBL28818739 0.63 ALDH1A1 (0.32) MEN1KMT2AALDH1A1

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 4211/4885MEN1 1441/4885KMT2A 1479/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 HSD17B10 3495/4885MEN1 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.