SCHEMBL17335696

SCHEMBL17335696

CCC(=O)N(CC(C)C)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13351518 0.86 ALDH1A1 (0.41) PIK3CDL3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL6607603 0.81 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL22447842 0.79 PIK3CD (0.42) PIK3CDL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6392802 0.79 L3MBTL1 (0.54) L3MBTL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL15492969 0.79 PIK3CD (0.47) PIK3CD
SCHEMBL8300064 0.78 PIK3CD (0.50) PIK3CD
SCHEMBL22447863 0.78 PIK3CD (0.41) PIK3CDL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13612711 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL27815168 0.76 ADH1A (0.44) L3MBTL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL22448021 0.76 L3MBTL1 (0.56) PIK3CDL3MBTL1ALDH1A1KDM4EMEN1

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-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB PIK3CD 3435/4885L3MBTL1 3411/4885ALDH1A1 385/4885

“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.