SCHEMBL8426541

SCHEMBL8426541

COC(=O)COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
PTGS2 P35354 2/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3059418 0.81 ALDH1A1 (0.72) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL2175455 0.78 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL8426538 0.75 L3MBTL1 (0.46) ALDH1A1HSD17B10MAPK1L3MBTL1RAB9A
SCHEMBL18343662 0.74 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL8116420 0.74 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL8107490 0.73 ALDH1A1 (0.77) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL15555582 0.73 ALDH1A1 (0.75) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL12786989 0.73 ALDH1A1 (0.75) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1
SCHEMBL3583405 0.73 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10MAPK1RAB9A
SCHEMBL3583770 0.73 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11180975-A None JP disclosed
EP-3453704-B1 PHENOL COMPOUND AND COMBINATION OF SAME WITH A BENZODIAZEPINE FUSED TO 1,4-DIHYDROPYRIDINE FOR TREATING DISEASES OF THE CENTRAL NERVOUS AND VASCULAR SYSTEMS UNIV LA HABANA (CU) 2021-06-16 EP disclosed
CN-109476627-B Phenolic compounds and combinations thereof with benzodiazepines fused to 1, 4-dihydropyridines for the treatment of pathologies of the central nervous system and of the vascular system 哈瓦那大学 2021-06-15 CN disclosed
US-10722491-B2 Phenol compound and combination of same with a benzodiazepine fused to 1,4-dihydropyridine for treating diseases of the central nervous and vascular systems UNIVERSIDAD DE LA HABANA (CU) 2020-07-28 US disclosed
US-20190133996-A1 PHENOL COMPOUND AND COMBINATION OF SAME WITH A BENZODIAZEPINE FUSED TO 1,4-DIHYDROPYRIDINE FOR TREATING DISEASES OF THE CENTRAL NERVOUS AND VASCULAR SYSTEMS UNIVERSIDAD DE LA HABANA (CU) 2019-05-09 US disclosed
EP-3453704-A1 PHENOL COMPOUND AND COMBINATION OF SAME WITH A BENZODIAZEPINE FUSED TO 1,4-DIHYDROPYRIDINE FOR TREATING DISEASES OF THE CENTRAL NERVOUS AND VASCULAR SYSTEMS Universidad de La Habana (CU) 2019-03-13 EP disclosed
JP-H11180975-A AMINOMETHYLENE DIOXANE DERIVATIVE, ITS PRODUCTION AND USE THEREOF CHEMIPROKASEI KAISHA LTD 1999-07-06 JP 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-10722491-B2 Phenol compound and combination of same with a benzodiazepine fused to 1,4-dihydropyridine for treating diseases of the central nervous and vascular systems PPARG, PPARD, CACNA1G ALDH1A1 1169/4885TSHR 3976/4885HSD17B10 1361/4885
US-20190133996-A1 PHENOL COMPOUND AND COMBINATION OF SAME WITH A BENZODIAZEPINE FUSED TO 1,4-DIHYDROPYRIDINE FOR TREATING DISEASES OF THE CENTRAL NERVOUS AND VASCULAR SYSTEMS PPARG, PPARD, CACNA1G ALDH1A1 1169/4885TSHR 3976/4885HSD17B10 1361/4885

“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.