SCHEMBL1609549

SCHEMBL1609549

CC(C)(C)C1[C@@H](C(=O)NC2CC2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP6 P55212 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3771274 1.00 EPHX2 (0.37) EPHX2EPHX1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4108067 0.84 LMNA (0.33) LMNA
SCHEMBL4108069 0.84 LMNA (0.33) LMNA
SCHEMBL28938621 0.72 LMNA (0.33) BTKLMNA
SCHEMBL4916247 0.72 LMNA (0.34) SMN1; SMN2ALDH1A1POLBGAAMEN1
SCHEMBL4916237 0.72 LMNA (0.34) SMN1; SMN2ALDH1A1POLBGAAMEN1
SCHEMBL18979169 0.71 LMNA (0.34) POLBLMNA
SCHEMBL3692484 0.71 EPHX2 (0.33) EPHX2SMN1; SMN2LMNA
SCHEMBL1098205 0.71 RIPK1 (0.34) LMNA
SCHEMBL16600622 0.71 DPP4 (0.34) LMNA

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-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 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-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 EPHX2 2664/4885EPHX1 1745/4885KDM4E 3481/4885

“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.