SCHEMBL6078736

SCHEMBL6078736

CCOC(=O)C1(C(=O)OCC)NCCC1CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
OPRM1 P35372 1/20 0.35
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 3/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6078331 0.82 LMNA (0.38) GAASMN1; SMN2POLBOPRM1LMNA
SCHEMBL26694795 0.78 MAPT (0.36) GAASMN1; SMN2POLBOPRM1MAPT
SCHEMBL6076839 0.77 SMN1; SMN2 (0.35) GAASMN1; SMN2POLBOPRM1LMNA
SCHEMBL9675417 0.74 SMN1; SMN2 (0.41) GAASMN1; SMN2POLBOPRM1KDM4E
SCHEMBL6921588 0.71 SMN1; SMN2 (0.60) GAASMN1; SMN2OPRM1KDM4EMEN1
SCHEMBL16759728 0.70 GAA (0.33) GAASMN1; SMN2POLBMEN1KMT2A
SCHEMBL25348791 0.70 LMNA (0.37) GAASMN1; SMN2POLBOPRM1LMNA
SCHEMBL1169368 0.70 SMN1; SMN2 (0.56) GAASMN1; SMN2POLBOPRM1LMNA
SCHEMBL1054957 0.69 POLB (0.36) GAASMN1; SMN2POLBOPRM1LMNA
SCHEMBL31105354 0.69 POLB (0.36) GAASMN1; SMN2POLBOPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 GAA 4576/4885SMN1; SMN2 4395/4885POLB 2995/4885

“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.