SCHEMBL436351

SCHEMBL436351

O=Cc1ccc(C=O)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
UNG P13051 1/20 0.47
PTPN1 P18031 4/20 0.46
PTPN2 P17706 2/20 0.46
PTPN6 P29350 2/20 0.46
APP P05067 6/20 0.44
PTGS2 P35354 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HNF4A P41235 1/20 0.42
LCK P06239 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
NPC1 O15118 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL30014296 0.83 ALDH1A1 (0.48) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL436346 0.83 ALDH1A1 (0.48) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL30589393 0.83 ALDH1A1 (0.52) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL4613992 0.83 ALDH1A1 (0.52) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL28926892 0.79 ERN1 (0.53) PTPN1KDM4EHNF4ALCKTRIM24
SCHEMBL130917 0.79 PTPN1 (0.71) ALDH1A1PTPN1PTPN2PTPN6APP
SCHEMBL29354644 0.79 PTPN1 (0.71) ALDH1A1PTPN1PTPN2PTPN6APP
SCHEMBL15169263 0.79 CA12 (0.57) ALDH1A1PTPN1PTGS2LCKTRIM24
SCHEMBL3040058 0.79 ERN1 (0.49) ALDH1A1UNGPTPN1PTGS2RAB9A
SCHEMBL23677729 0.78 POLB (0.52) ALDH1A1UNGKDM4E

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
EP-3915970-A1 AROMATIC COMPOUNDS FROM FURANICS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2021-12-01 EP disclosed
EP-3419957-B1 AROMATIC COMPOUNDS FROM FURANICS TNO (NL) 2021-09-29 EP disclosed
US-10562875-B2 Aromatic compounds from furanics NEDERLANDSE ORGANISAITE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2020-02-18 US disclosed
US-20190023678-A1 AROMATIC COMPOUNDS FROM FURANICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-01-24 US disclosed
CN-104281006-B Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2019-01-22 CN disclosed
CN-108008600-A Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2018-05-08 CN disclosed
US-9951324-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20130116195-A1 Binding ligand linked drug delivery conjugates of tubulysins LEAMON CHRISTOPHER PAUL (US) 2013-05-09 US disclosed
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease LEAMON CHRISTOPHER PAUL (US) 2012-10-25 US disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES PURDUE RESEARCH FOUNDATION (US) 2012-01-26 US disclosed
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2011-11-24 US disclosed
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS ENDOCTYE, INC. 2010-12-23 US disclosed
EP-2259133-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE Sharp Kabushiki Kaisha (JP) 2010-12-08 EP disclosed
CN-101528653-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-09 CN 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 (13 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-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885PTPN1 4026/4885
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES FOLR1, FOLR2, DHFR ALDH1A1 1932/4885UNG 142/4885PTPN1 3025/4885
US-20130116195-A1 Binding ligand linked drug delivery conjugates of tubulysins TEK, TEKT1, CD2BP2 ALDH1A1 4745/4885UNG 3392/4885PTPN1 2116/4885
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2290/4885UNG 1756/4885PTPN1 3809/4885
US-20190023678-A1 AROMATIC COMPOUNDS FROM FURANICS PAH, AOX1, TYR ALDH1A1 180/4885UNG 810/4885PTPN1 2246/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 ALDH1A1 931/4885UNG 2969/4885PTPN1 3504/4885
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease VDR, GC, CYP24A1 ALDH1A1 2229/4885UNG 3469/4885PTPN1 2537/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2748/4885UNG 2770/4885PTPN1 4096/4885
US-10562875-B2 Aromatic compounds from furanics PAH, AOX1, TYR ALDH1A1 180/4885UNG 810/4885PTPN1 2246/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885PTPN1 4026/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885PTPN1 4026/4885
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS CD44, HAVCR2, HCAR1 ALDH1A1 2723/4885UNG 3216/4885PTPN1 3635/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885PTPN1 4026/4885

“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.