SCHEMBL10099849

SCHEMBL10099849

COC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)CCCN

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.62
▸ HDAC1 Q13547 10/20 0.55
▸ HDAC6 Q9UBN7 10/20 0.55
▸ ALDH1A1 P00352 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL10099814 0.87 ITGB3 (0.54) LCK
SCHEMBL11864242 0.87 LCK (0.68) LCKHDAC1HDAC6ALDH1A1NPSR1
SCHEMBL6139811 0.86 LCK (0.67) LCKHDAC1HDAC6ALDH1A1NPSR1
SCHEMBL10099813 0.86 CA1 (0.56) LCK
SCHEMBL19682099 0.83 MAPT (0.62) LCKHDAC1HDAC6ALDH1A1
SCHEMBL19682098 0.83 MAPT (0.62) LCKHDAC1HDAC6ALDH1A1
SCHEMBL6267583 0.83 LCK (0.70) LCKHDAC1HDAC6ALDH1A1NPSR1
SCHEMBL11348361 0.82 HDAC1 (0.65) HDAC1HDAC6
SCHEMBL11348366 0.82 HDAC1 (0.65) HDAC1HDAC6
SCHEMBL10099867 0.82 HDAC1 (0.52) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 — — US disclosed
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS BAR-ILAN UNIVERSITY (IL) 2012-11-01 — — US disclosed
US-8207369-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-06-26 — — US disclosed
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-02-10 — — 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 (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-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, GABRB2, SLC6A13 LCK 3607/4885HDAC1 2692/4885HDAC6 96/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 LCK 2796/4885HDAC1 3125/4885HDAC6 99/4885

“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.

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