SCHEMBL1869103

SCHEMBL1869103

Cc1ccc2[nH]c3c(c2c1)CCC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
LMNA P02545 5/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
PTGES O14684 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
THRB P10828 1/20 0.56
TP53 P04637 3/20 0.54
ACHE P22303 3/20 0.54
GRIN1 Q05586 3/20 0.54
GRIN2A Q12879 3/20 0.54
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
BAZ2B Q9UIF8 1/20 0.54
HSD17B10 Q99714 1/20 0.53
F2 P00734 1/20 0.53

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
SCHEMBL2515756 0.96 MAPT (0.60) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL3498303 0.86 MAPT (0.54) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL2301247 0.82 SIRT2 (0.61) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16745591 0.82 HSD17B10 (0.67) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL10099057 0.82 MAPT (0.57) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL20780028 0.81 MAPT (0.56) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL3238110 0.80 L3MBTL1 (0.78) LMNAKDM4EL3MBTL1ACHEGRIN1
SCHEMBL26836971 0.80 KMT2A (0.55) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL10127681 0.80 L3MBTL1 (0.82) LMNAKDM4EALDH1A1L3MBTL1ACHE
SCHEMBL6643889 0.79 ALDH1A1 (0.68) MAPTLMNAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486990-B2 SirT inhibitors that bind to NAD ELIXIR PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2011-05-05 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-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE HDAC1, HDAC5, HDAC4 MAPT 3378/4885LMNA 2192/4885KDM4E 202/4885

“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.