SCHEMBL6896485

SCHEMBL6896485

CC(COc1ccccc1Cl)CC(CN)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.44
CACNB3 P54284 1/20 0.44
CACNA1C Q13936 1/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D2 Q9NY47 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
TP53 P04637 1/20 0.39
FFAR1 O14842 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
SCHEMBL1913766 1.00 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3120875 1.00 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3833181 0.88 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7116294 0.88 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913968 0.88 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913866 0.86 SMN1; SMN2 (0.49) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3241280 0.86 SMN1; SMN2 (0.49) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3112068 0.86 SMN1; SMN2 (0.49) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6895434 0.85 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913886 0.85 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US claimed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US claimed
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
EP-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 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 (3 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-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNB3 2558/4885CACNA1C 3394/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNB3 2558/4885CACNA1C 3394/4885

“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.