SCHEMBL4886664

SCHEMBL4886664

CC(C)(C)OC(=O)N/C(=C\c1cccc(Br)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RECQL P46063 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4886669 1.00 AKR1C3 (0.43) AKR1C3AKR1C2RECQLNPC1RAB9A
SCHEMBL4886670 1.00 AKR1C3 (0.43) AKR1C3AKR1C2RECQLNPC1RAB9A
SCHEMBL4883097 0.89 SMN1; SMN2 (0.40) AKR1C3AKR1C2RECQLNPC1RAB9A
SCHEMBL8364996 0.89 SMN1; SMN2 (0.40) AKR1C3AKR1C2RECQLNPC1RAB9A
SCHEMBL20212425 0.85 NFKB1 (0.45) AKR1C3NPC1RAB9AMAPTALDH1A1
SCHEMBL8953422 0.85 NFKB1 (0.45) AKR1C3NPC1RAB9AMAPTALDH1A1
SCHEMBL8874572 0.84 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8874576 0.84 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18063268 0.82 NPC1 (0.40) RECQLNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18063266 0.82 NPC1 (0.40) RECQLNPC1RAB9ASMN1; SMN2MAPT

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 AKR1C3 603/4885AKR1C2 1392/4885RECQL 158/4885

“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.