SCHEMBL4864324

SCHEMBL4864324

CC(C)(C)OC(=O)N1CCC=CCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
UCHL1 P09936 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3485960 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL610128 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL16824590 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL16824591 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL31048410 0.78 ATM (0.42) HSD17B10SMN1; SMN2ATMNR1H2NR1H3
SCHEMBL1631708 0.77 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL73359 0.77 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL73360 0.77 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL31048380 0.75 ATM (0.41) HSD17B10SMN1; SMN2ATMNR1H2NR1H3
SCHEMBL18027 0.75 HSD17B10 (0.51) HSD17B10SMN1; SMN2LMNANR1H2GPR119

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
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 US disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 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-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC HSD17B10 1397/4885SMN1; SMN2 4232/4885NPC1 1694/4885

“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.