SCHEMBL3323518

SCHEMBL3323518

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
POLB P06746 1/20 1.00
KDM4E B2RXH2 12/20 0.67
LMNA P02545 4/20 0.67
ALDH1A1 P00352 8/20 0.61
HTT P42858 3/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
MTOR P42345 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
ADORA3 P0DMS8 2/20 0.53
ALOX15 P16050 1/20 0.52
ABCC1 P33527 1/20 0.51

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
SCHEMBL3503405 0.80 KDM4E (1.00) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL31596062 0.79 POLB (0.64) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL1007130 0.78 ALDH1A1 (0.73) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL8890327 0.78 KDM4E (0.86) GAAPOLBKDM4ELMNAALDH1A1
Glutarate SCHEMBL11078651 0.77 GAA (0.62) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL9672168 0.77 ALDH1A1 (0.65) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL9139821 0.76 ALDH1A1 (1.00) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL31596278 0.75 GAA (0.59) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL30195962 0.74 POLB (0.59) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL31596150 0.74 POLB (0.57) GAAPOLBKDM4ELMNAALDH1A1

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
CN-115710296-A Process for synthesizing sugar-containing amino acid compound by photocatalysis 南京师范大学 2023-02-24 CN disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
WO-1990009377-A1 ALCALINE SALTS OF 2-(2,6-DIMETHYL-3,5-DIETHOXYCARBONYL-1,4-DIHYDROPYRIDINE-4-CARBOXAMIDO) ETHANE SULPHONIC ACID AND METHOD OF OBTAINING THEM INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR (SU) 1990-08-23 WO disclosed
US-4485239-A ANTIARRHYTHMIC AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR (SU) 1984-11-27 US disclosed
US-4351837-A 1,4-Dihydropyridine-3,5-dicarboxylate-4-carboxamide compounds, compositions containing same and method of using same BAYER AKTIENGESELLSCHAFT (DE) 1982-09-28 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 (1 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 GAA 271/4885POLB 606/4885KDM4E 4115/4885

“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.