SCHEMBL2946176

SCHEMBL2946176

CCN1CCC=C(c2ccc([N+](=O)[O-])c(OC)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
CHEK1 O14757 6/20 0.41
ABCB1 P08183 4/20 0.39
ABCC1 P33527 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2206709 0.91 SIRT6 (0.46) ALDH1A1CYP2D6L3MBTL1LMNASIRT6
SCHEMBL2209685 0.87 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1LMNASIRT6
SCHEMBL2201835 0.84 SIRT6 (0.53) ALDH1A1LMNASIRT6CHEK1MAPT
SCHEMBL2208118 0.82 IGF1R (0.42) ALDH1A1CYP2D6L3MBTL1LMNASIRT6
SCHEMBL2206543 0.81 ALDH1A1 (0.46) ALDH1A1LMNASIRT6CHEK1ABCB1
SCHEMBL30868397 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNASIRT6CHEK1
SCHEMBL6181269 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNASIRT6CHEK1
SCHEMBL2207405 0.75 CHRM2 (0.47) ALDH1A1L3MBTL1MAPT
SCHEMBL311532 0.75 SIGMAR1 (0.48) ALDH1A1CYP2D6L3MBTL1LMNASIRT6
SCHEMBL2208088 0.73 ADRA2A (0.46) ALDH1A1LMNASIRT6CHEK1TDP1

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALDH1A1 238/4885CYP2D6 2229/4885L3MBTL1 2909/4885

“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.