SCHEMBL188282

SCHEMBL188282

CC(C)C1CC(C(=O)O)OC1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12200371 0.85
SCHEMBL188431 0.85
SCHEMBL4063270 0.75 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL9218081 0.74 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL2738575 0.74
SCHEMBL9745576 0.74 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL14360218 0.71 KMT2A (0.40) SMN1; SMN2MAPT
SCHEMBL13045595 0.69 GABRR1 (0.36) SMN1; SMN2
SCHEMBL2806987 0.69 POLB (0.43) SMN1; SMN2POLBMAPT
SCHEMBL17678526 0.68 IDUA (0.36) SMN1; SMN2

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-2313386-B1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2012-01-04 EP disclosed
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
EP-2313386-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP Assets B.V. (NL) 2011-04-27 EP disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 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-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES KHK, AGTR2, HK2 SMN1; SMN2 3290/4885POLB 3341/4885TSHR 2246/4885

“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.