SCHEMBL547530

SCHEMBL547530

O=Cc1c(C=O)c(C=O)c2cc3c(C(=O)O)cccc3cc2c1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
CDC25B P30305 2/20 0.41
HSD17B10 Q99714 3/20 0.41
SOS1 Q07889 1/20 0.40
ERN1 O75460 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 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
SCHEMBL71960 0.84 NR4A1 (0.68) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29600450 0.84 NR4A1 (0.68) PTPN1NR4A1NR4A2NR4A3ALDH1A1
Hydrochloric Acid SCHEMBL4607125 0.82 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL30367135 0.82 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL71261 0.82 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL1948692 0.80 PTPN1 (0.63) PTPN1NR4A1NR4A2NR4A3ALDH1A1
Hydrochloric Acid SCHEMBL6847145 0.80 PTPN1 (0.63) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL1551729 0.80 PTPN1 (0.63) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL123193 0.78 ALDH1A1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29405887 0.78 ALDH1A1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1

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 PTPN1 2001/4885NR4A1 419/4885NR4A2 1485/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 PTPN1 3050/4885NR4A1 421/4885NR4A2 1307/4885

“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.