SCHEMBL15760940

SCHEMBL15760940

CCOC(=O)C1=C(C)NC(CC)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 4/20 0.39
ADORA2B P29275 3/20 0.39
APEX1 P27695 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 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
SCHEMBL11316236 0.78 TSHR (0.46) ALDH1A1LMNATSHRTP53HPGD
SCHEMBL14352031 0.72 MAPT (0.43) ALDH1A1HTTLMNATSHRTP53
SCHEMBL1136326 0.70 SMN1; SMN2 (0.38) ALDH1A1HTTLMNATSHRHPGD
SCHEMBL1781029 0.69 KDM4E (0.40) ALDH1A1HTTLMNATSHRHPGD
SCHEMBL9626490 0.65 ALDH1A1 (0.49) ALDH1A1HTTLMNATSHRHPGD
SCHEMBL11307625 0.65 ITGB1 (0.55) ALDH1A1HTTTSHRHSD17B10MAPT
SCHEMBL21679400 0.65 LMNA (0.42) ALDH1A1HTTLMNATSHRTP53
SCHEMBL14314366 0.64
SCHEMBL5768296 0.64
SCHEMBL4559467 0.64

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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 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 (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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B ALDH1A1 161/4885HTT 4065/4885LMNA 575/4885
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 ALDH1A1 140/4885HTT 3769/4885LMNA 392/4885

“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.