SCHEMBL1289923

SCHEMBL1289923

CC(C)[C@@H](C(=O)O)N1C(=O)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.35
BCL2 P10415 2/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC1A2 P43004 1/20 0.34
PIK3CD O00329 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL15623779 0.92 RAB9A (0.41) RAB9AALDH1A1PKMMEN1KMT2A
SCHEMBL542300 0.92 RAB9A (0.41) RAB9AALDH1A1PKMMEN1KMT2A
SCHEMBL31259418 0.78 ALDH1A1 (0.46) ALDH1A1PKMMEN1KMT2ACHRM2
SCHEMBL3725271 0.77 LMNA (0.49) RAB9AALDH1A1KMT2ACHRM2CHRM4
SCHEMBL1514142 0.77 MEN1 (0.38) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL628286 0.77 LMNA (0.49) RAB9AALDH1A1KMT2ACHRM2CHRM4
SCHEMBL1514137 0.77 GRIN2B (0.32)
SCHEMBL1289807 0.77 ALDH1A1 (0.37) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL15106072 0.76 LMNA (0.44) RAB9AKMT2AMAPTCHRM2CHRM4
SCHEMBL8331968 0.76 LMNA (0.44) RAB9AKMT2AMAPTCHRM2CHRM4

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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
WO-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 RAB9A 707/4885ALDH1A1 327/4885PKM 794/4885

“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.