SCHEMBL13352154

SCHEMBL13352154

COc1cc(C)ccc1OCC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.47
TOP2A P11388 1/20 0.46
P2RX5 Q93086 1/20 0.46
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 1/20 0.45
HSP90AA1 P07900 3/20 0.45
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL13320597 0.85 ALDH1A1 (0.57) NPC1RAB9ALMNATOP2AALDH1A1
SCHEMBL6085448 0.85 SMN1; SMN2 (0.54) P2RX7L3MBTL1PKMALDH1A1CNR2
SCHEMBL3323990 0.84 MEN1 (0.51) RAB9ALMNATOP2AP2RX5P2RX4
SCHEMBL3323184 0.77 RAB9A (0.51) RAB9ALMNAL3MBTL1ALDH1A1CNR2
SCHEMBL5275178 0.75 POLB (0.64) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL16272296 0.74 HSP90AA1 (0.43) LMNATOP2AL3MBTL1ALDH1A1HSP90AA1
SCHEMBL18715373 0.74 NPC1 (0.60) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL12180472 0.74 ACHE (0.60) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL30697348 0.73 CTNNB1 (0.66) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL29115858 0.73 CTNNB1 (0.66) NPC1RAB9AL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 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-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC NPC1 1318/4885RAB9A 1186/4885LMNA 732/4885

“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.