SCHEMBL69234

SCHEMBL69234

O=C(O)Cc1cccc2c(CC(=O)O)cccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.76
AKR1B1 P15121 3/20 0.60
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
CXCL8 P10145 3/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CYP1A2 P05177 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
GLA P06280 1/20 0.46
STING1 Q86WV6 1/20 0.46
PTGS2 P35354 2/20 0.46

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
SCHEMBL29564952 1.00 TDP1 (0.76) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL21585563 0.93 TDP1 (0.68) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL69027 0.90 TDP1 (0.69) TDP1AKR1B1CXCL8KDM4EMAPT
SCHEMBL29732929 0.90 TDP1 (0.69) TDP1AKR1B1CXCL8KDM4EMAPT
SCHEMBL6738986 0.89 AKR1B1 (0.67) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL9192502 0.89 TDP1 (0.63) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL9193877 0.88 TDP1 (0.61) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL22622349 0.88 TDP1 (0.61) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL3285169 0.88 TDP1 (0.61) TDP1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL8115692 0.88 TDP1 (0.61) TDP1AKR1B1DUSP3PTPN5PTPN11

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN claimed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN disclosed
US-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-13 US disclosed
US-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-13 US disclosed
WO-2020012248-A1 NOVEL NAPHTHYLENYL COMPOUNDS FOR LONG-ACTING INJECTABLE COMPOSITIONS AND RELATED METHODS ALKERMES PHARMA IRELAND LIMITED (IE) 2020-01-16 WO disclosed
WO-2020012248-A1 NOVEL NAPHTHYLENYL COMPOUNDS FOR LONG-ACTING INJECTABLE COMPOSITIONS AND RELATED METHODS ALKERMES PHARMA IRELAND LIMITED (IE) 2020-01-16 WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US 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-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods OPRL1, OPRK1, OPRM1 TDP1 4269/4885AKR1B1 842/4885DUSP3 3910/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TDP1 3534/4885AKR1B1 1027/4885DUSP3 4792/4885

“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.