SCHEMBL3526490

SCHEMBL3526490

CC(C)Cc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 1/20 0.59
NR4A2 P43354 1/20 0.55
LMNA P02545 3/20 0.53
FFAR1 O14842 1/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
PTGS1 P23219 4/20 0.51
PTGS2 P35354 4/20 0.51
CYP2C9 P11712 2/20 0.51
AKR1C3 P42330 2/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
ALB P02768 1/20 0.51
ESR1 P03372 1/20 0.51
ALOX5 P09917 1/20 0.51
RARB P10826 1/20 0.51

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
SCHEMBL25146524 0.95 LMNA (0.62) USP5L3MBTL1KMT2ANR4A2LMNA
SCHEMBL30089557 0.93 PTGS1 (0.53) USP5L3MBTL1KMT2ALMNAPTGS1
SCHEMBL8083048 0.84 HSD17B3 (0.58) L3MBTL1LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL9441163 0.84 TRPA1 (0.53) USP5KMT2ALMNASMN1; SMN2PTGS1
SCHEMBL14297902 0.84 BLM (0.55) USP5L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL29062360 0.83 PTGS1 (0.45) USP5L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL9630906 0.82 USP5 (0.55) USP5L3MBTL1KMT2ANR4A2LMNA
SCHEMBL9394922 0.82 FAAH (0.51) USP5KMT2ALMNASMN1; SMN2PTGS1
SCHEMBL11235329 0.81 ACACB (0.60) USP5L3MBTL1KMT2ASIGMAR1
SCHEMBL664336 0.81 FFAR1 (0.61) LMNAFFAR1PTGS1PTGS2CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US claimed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US disclosed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 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-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD USP5 3327/4885L3MBTL1 2958/4885KMT2A 3434/4885

“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.