SCHEMBL78103

SCHEMBL78103

O=C(/C=C/C(=O)OCc1ccccc1O)OCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.53
IDO1 P14902 2/20 0.52
AKR1B1 P15121 5/20 0.48
AKR1B10 O60218 4/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.45
HSPA5 P11021 1/20 0.45
TYR P14679 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYBB P04839 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2340792 1.00 HCAR2 (0.53) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL21678780 0.93 HCAR2 (0.65) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL78104 0.93 HCAR2 (0.65) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL21678700 0.92 MAPT (0.52) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL21678773 0.92 AKR1B1 (0.47) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL5176891 0.90 IDO1 (0.46) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL21678750 0.89 APP (0.50) HCAR2IDO1AKR1B1AKR1B10LMNA
SCHEMBL21678777 0.87 AKR1B1 (0.48) HCAR2IDO1AKR1B1AKR1B10CA12
SCHEMBL5312883 0.87 LMNA (0.67) AKR1B1AKR1B10CA12CA4CA6
SCHEMBL5312885 0.87 LMNA (0.67) AKR1B1AKR1B10CA12CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021933-B1 THIOSUCCINYL-CROSSLINKED HEMOGLOBIN ANALOGS AND METHODS OF USE AND PREPARATION THEREOF BILLION KING INTERNATIONAL LTD (HK) 2024-10-09 EP claimed
US-11866401-B2 Salicyl fumarate derivative and its application in the treatment of Parkinson's disease and other neurodegenerative diseases CHONGQING NEUROPARK BIOSCIENCE CO., LTD. (CN) 2024-01-09 US claimed
US-11857605-B2 Thiosuccinyl-crosslinked hemoglobin conjugates and methods of use and preparation thereof BILLION KING INTERNATIONAL LIMITED (CN) 2024-01-02 US claimed
US-11479597-B2 Thiosuccinyl-crosslinked hemoglobin analogs and methods of use and preparation thereof BILLION KING INTERNATIONAL LIMITED (CN) 2022-10-25 US claimed
US-20220280616-A1 Thiosuccinyl-crosslinked Hemoglobin Conjugates and Methods of Use and Preparation Thereof BILLION KING INTERNATIONAL LIMITED (HK) 2022-09-08 US claimed
US-20210179533-A1 SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES CHONGQING NEUROPARK BIOSCIENCE CO., LTD. (CN) 2021-06-17 US claimed
US-20210061885-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof BILLION KING INTERNATIONAL LIMITED (CN) 2021-03-04 US claimed
EP-3611157-A1 SALICYLIC ACID-BASED FUMARATE DERIVATIVE AND USE IN TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES Chongqing Neuropark Bioscience Co., Ltd. (CN) 2020-02-19 EP claimed
US-20200048182-A1 A SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES CHONGQING NEUROPARK BIOSCIENCE CO., LTD. (CN) 2020-02-13 US claimed
CN-106946701-A Salicylic acid-based fumarate derivative and application thereof in treating Parkinson's disease and other neurodegenerative diseases 杨立川 2017-07-14 CN claimed
EP-2094292-B1 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR INC (US) 2014-07-09 EP claimed
US-20120220529-A1 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR, INC. 2012-08-30 US claimed
EP-2094292-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN Ikor, Inc. (US) 2009-09-02 EP claimed
US-7494974-B2 Carboxymethylated cross-linked tetrameric hemoglobin IKOR, INC. (US) 2009-02-24 US claimed
WO-2008051689-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR, INC. (US) 2008-05-02 WO claimed
US-20080096805-A1 deoxygenated, endotoxin-free and stroma-free transport proteins, incapable of binding with nitric oxide, useful as substitutes for erythrocytes in mammals and for treating disorders where oxygen delivery agents are of benefit IKOR, INC. 2008-04-24 US claimed
US-20080096803-A1 Carboxymethylated cross-linked tetrameric hemoglobin IKOR, INC. 2008-04-24 US claimed
EP-4021933-B1 THIOSUCCINYL-CROSSLINKED HEMOGLOBIN ANALOGS AND METHODS OF USE AND PREPARATION THEREOF BILLION KING INTERNATIONAL LTD (HK) 2024-10-09 EP disclosed
US-5750725-A USING A SUBSTITUTED POLYETHERS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA (US) 1998-05-12 US disclosed
US-5585484-A USING ETHOXYLATED PHENYLMALEIMIDO COMPOUNDS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSITY (US) 1996-12-17 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 (7 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-20210179533-A1 SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES FH, SUCNR1, SDHB HCAR2 61/4885IDO1 3205/4885AKR1B1 450/4885
US-20210061885-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof HBG1, HBG2, HBB HCAR2 3037/4885IDO1 4205/4885AKR1B1 2336/4885
US-11479597-B2 Thiosuccinyl-crosslinked hemoglobin analogs and methods of use and preparation thereof HBG1, HBG2, HBB HCAR2 3037/4885IDO1 4205/4885AKR1B1 2336/4885
US-11857605-B2 Thiosuccinyl-crosslinked hemoglobin conjugates and methods of use and preparation thereof HBG1, HBG2, HBB HCAR2 3018/4885IDO1 4252/4885AKR1B1 3204/4885
US-20200048182-A1 A SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES FH, SUCNR1, SDHB HCAR2 75/4885IDO1 3084/4885AKR1B1 361/4885
US-11866401-B2 Salicyl fumarate derivative and its application in the treatment of Parkinson's disease and other neurodegenerative diseases FH, SUCNR1, SDHB HCAR2 88/4885IDO1 3152/4885AKR1B1 483/4885
US-20220280616-A1 Thiosuccinyl-crosslinked Hemoglobin Conjugates and Methods of Use and Preparation Thereof HBG1, HBG2, HBB HCAR2 3018/4885IDO1 4252/4885AKR1B1 3204/4885

“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.