SCHEMBL10243639

SCHEMBL10243639

CCOC(=O)C1=C(C(C)C)CC=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35

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
SCHEMBL6885396 0.74 MAPT (0.38) ALDH1A1SMN1; SMN2CYP1A2TSHRHPGD
SCHEMBL11210171 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1CYP1A2TSHR
SCHEMBL24612064 0.68 CA12 (0.39) ALDH1A1SMN1; SMN2MAPK1CYP1A2TSHR
SCHEMBL7019135 0.66 MAPT (0.39) ALDH1A1SMN1; SMN2CYP1A2TSHRKDM4E
SCHEMBL15614506 0.65 KDM4E (0.40) ALDH1A1SMN1; SMN2POLBMAPK1CYP1A2
SCHEMBL15614483 0.65 KDM4E (0.44) ALDH1A1SMN1; SMN2POLBMAPK1TSHR
SCHEMBL5512129 0.65 KDM4E (0.44) ALDH1A1SMN1; SMN2POLBMAPK1TSHR
SCHEMBL688952 0.64 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMAPK1HPGD
SCHEMBL10756252 0.63 CYP1A2 (0.43) ALDH1A1SMN1; SMN2POLBMAPK1CYP1A2
SCHEMBL6623726 0.63 CYP1A2 (0.43) ALDH1A1SMN1; SMN2CYP1A2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 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-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 ALDH1A1 1825/4885SMN1; SMN2 1572/4885POLB 1951/4885

“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.