SCHEMBL4291996

SCHEMBL4291996

CCOC(=O)C1(C(=O)OCC)CCC(NC2CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMYD3 Q9H7B4 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
F10 P00742 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31
OPRM1 P35372 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
SCHEMBL17017270 0.78 POLB (0.33) ATMLMNAGAAF10ALDH1A1
SCHEMBL4287007 0.76 F10 (0.36) ATMLMNAF10ALDH1A1POLB
SCHEMBL28329881 0.75 L3MBTL1 (0.54) THRBATML3MBTL1LMNAGAA
SCHEMBL5814077 0.75 SMYD3 (0.35) SMYD3LMNAGAAF10ALDH1A1
SCHEMBL30829113 0.75 SMYD3 (0.35) SMYD3LMNAGAAF10ALDH1A1
SCHEMBL4293565 0.75 SMYD3 (0.35) SMYD3LMNAGAAF10ALDH1A1
Hydrochloric Acid SCHEMBL4295691 0.73 SMYD3 (0.34) SMYD3GAAF10POLBSMN1; SMN2
SCHEMBL13659728 0.72 GAA (0.46) L3MBTL1LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL6745756 0.72 POLB (0.36) ATMLMNAGAAF10ALDH1A1
SCHEMBL233743 0.72 KDM4E (0.41) ATML3MBTL1LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 THRB 965/4885ATM 2939/4885L3MBTL1 4812/4885

“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.