SCHEMBL12951968

SCHEMBL12951968

C=C[C@@H]1C[C@]1(NC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8355921 1.00 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL8245109 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL2630647 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL8172288 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL13359028 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL2631450 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL8247842 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL1101712 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAATMMGAM
SCHEMBL8351184 0.84 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAATM
SCHEMBL15461445 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912999-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-05 EP disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
EP-2121674-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV TIBOTEC PHARM LTD (IE) 2010-05-12 EP disclosed
WO-2009080542-A1 PROCESS FOR THE PREPARATION OF A MACROCYCLE F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS ALDH1A1 3982/4885NPSR1 2149/4885LMNA 3507/4885

“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.