SCHEMBL6730574

SCHEMBL6730574

COC(=O)C1CCCC1SCCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
LTA4H P09960 4/20 0.43
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.39
HPGD P15428 3/20 0.39
CTSK P43235 2/20 0.39
HTT P42858 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL6732073 0.75 RAB9A (0.46) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL2529868 0.72 TSHR (0.42) EPHX2SMN1; SMN2HTT
SCHEMBL5637500 0.70 RAB9A (0.48) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL12011967 0.68 TSHR (0.35) MAPTALDH1A1CTSK
SCHEMBL5641403 0.66 KDM1A (0.51) RAB9ALTA4HPKML3MBTL1MAPT
SCHEMBL31630289 0.66 MMP2 (0.43) RAB9ANPC1PKMEPHX2SMN1; SMN2
SCHEMBL17842304 0.66 NPC1 (0.70) RAB9ANPC1LTA4HSMN1; SMN2MAPT
SCHEMBL23366755 0.66 NPC1 (0.56) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL10037559 0.66 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL317324 0.66 SLC6A2 (0.76) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 US claimed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 US claimed
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 US disclosed
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 US disclosed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 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 (2 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-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HCAR1, HCAR2, HCAR3 RAB9A 1474/4885NPC1 1544/4885LTA4H 2750/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 RAB9A 1769/4885NPC1 1330/4885LTA4H 2507/4885

“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.