SCHEMBL4890761

SCHEMBL4890761

CC(C)(N)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
YTHDF3 Q7Z739 1/20 0.36
YTHDF1 Q9BYJ9 1/20 0.36
YTHDF2 Q9Y5A9 1/20 0.36
GPR84 Q9NQS5 8/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7764663 0.82 CA1 (0.56) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL30839876 0.78 CA1 (0.46) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL11726927 0.73 CA1 (0.44) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL29707614 0.71 CA1 (0.43) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL29779360 0.70 CA1 (0.41) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL2117133 0.67 CA1 (0.48) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL60308 0.64
SCHEMBL1774205 0.64
SCHEMBL14805672 0.64 CA1 (0.45) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL10846658 0.63 LMNA (0.59) CA1ALDH1A1LMNACYP1A2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177574-B1 AMINOCARNITINES CORNELL RESEARCH FOUNDATION, INC. (US) 1989-12-20 EP claimed
US-4781863-A FROM 6-CHLOROMETHYLURACIL CORNELL RESEARCH FOUNDATION, INC. (US) 1988-11-01 US claimed
US-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders STRACHER ALFRED 2008-02-14 US disclosed
US-5876747-A CARNITINE, AMINOCARNITINE AND CYSTEIC ACID AS CARRIERS CEPTOR CORPORATION 1999-03-02 US disclosed
EP-0279887-B1 Carnitine directed pharmaceutical agents and their use for the manufacture of a medicament for the treatment of muscle disorder STRACHER ALFRED (US) 1995-02-01 EP disclosed
US-5008288-A Skeletal & heat muscle disorders CEPTOR CORPORATION 1991-04-16 US disclosed
EP-0177574-B1 AMINOCARNITINES CORNELL RESEARCH FOUNDATION, INC. (US) 1989-12-20 EP disclosed
US-4866040-A DRUG COVALENTLY BONDED TO AMINOCARNITINE FOR DELIVERY TO SPECI FIC SITES CEPTOR CORPORATION 1989-09-12 US disclosed
EP-0279887-A2 Carnitine directed pharmaceutical agents and their use for the manufacture of a medicament for the treatment of muscle disorder Stracher, Alfred (US) 1988-08-31 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 (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-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders CPT1B, CAPNS1, CAPN1 CA1 646/4885ALDH1A1 63/4885LMNA 153/4885

“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.