SCHEMBL436346

SCHEMBL436346

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
UNG P13051 1/20 0.47
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 2/20 0.43
PTPN1 P18031 4/20 0.42
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
CYP1A2 P05177 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
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
HNF4A P41235 1/20 0.38
LCK P06239 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL30014296 1.00 ALDH1A1 (0.48) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL436351 0.83 ALDH1A1 (0.48) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL30589393 0.83 ALDH1A1 (0.52) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL4613992 0.83 ALDH1A1 (0.52) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL17825629 0.82 ERN1 (0.42) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL1124850 0.79 PTPN1 (0.65) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL1302677 0.79 ERN1 (0.49) ALDH1A1UNGRAB9AKDM4EPTGS2
SCHEMBL29953767 0.79 CA12 (0.57) ALDH1A1PTGS2PTPN1CYP1A2LCK
SCHEMBL3388426 0.79 CA12 (0.57) ALDH1A1PTGS2PTPN1CYP1A2LCK
SCHEMBL30253662 0.79 ERN1 (0.49) ALDH1A1UNGRAB9AKDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112619445-B Novel Polymer-COF-MOF composite membrane and preparation method thereof 苏州因安特新材料科技有限公司 2022-10-25 CN claimed
CN-112619445-A Novel Polymer-COF-MOF composite film and preparation method thereof 嘉兴罗顿新材料科技有限公司 2021-04-09 CN claimed
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
CN-112619445-B Novel Polymer-COF-MOF composite membrane and preparation method thereof 苏州因安特新材料科技有限公司 2022-10-25 CN disclosed
CN-112619445-A Novel Polymer-COF-MOF composite film and preparation method thereof 嘉兴罗顿新材料科技有限公司 2021-04-09 CN disclosed
US-9951324-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-9782493-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-10-10 US disclosed
US-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES PURDUE RESEARCH FOUNDATION 2017-09-21 US disclosed
US-20170258932-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2017-09-14 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
US-6888010-B2 Process for the preparation of 5-formylphthalide INFOSINT SA (CH) 2005-05-03 US disclosed
US-20040225136-A1 Process for the preparation of 5-formylphthalide H. LUNDBECK A/S (DK) 2004-11-11 US disclosed
EP-1281708-B1 Process for the preparation of 5-Formylphthalide INFOSINT SA (CH) 2004-05-26 EP disclosed
WO-2003011847-A1 PROCESS FOR THE PREPARATION OF 5-FORMYLPHTHALIDE INFOSINT SA (CH) 2003-02-13 WO disclosed
EP-1281708-A1 Process for the preparation of 5-Formylphthalide INFOSINT SA (CH) 2003-02-05 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 (10 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 2767/4885RAB9A 2483/4885
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES FOLR1, FOLR2, DHFR ALDH1A1 1932/4885UNG 142/4885RAB9A 3184/4885
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2290/4885UNG 1756/4885RAB9A 2335/4885
US-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES FOLR1, FOLR2, FOLH1 ALDH1A1 1100/4885UNG 369/4885RAB9A 3482/4885
US-20170258932-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 ALDH1A1 642/4885UNG 3143/4885RAB9A 1053/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885RAB9A 2483/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885RAB9A 2483/4885
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS CD44, HAVCR2, HCAR1 ALDH1A1 2723/4885UNG 3216/4885RAB9A 2900/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885UNG 2767/4885RAB9A 2483/4885
US-20040225136-A1 Process for the preparation of 5-formylphthalide HTR5A, TPH1, HTR6 ALDH1A1 490/4885UNG 949/4885RAB9A 4211/4885

“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.