SCHEMBL9112240

SCHEMBL9112240

COCOc1ccc(CC(C)=O)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
FYN P06241 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
SQSTM1 Q13501 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 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
SCHEMBL27634750 0.87 ALDH1A1 (0.42) MAPTKDM4EALDH1A1FYNSMN1; SMN2
SCHEMBL27557248 0.85 CYP3A4 (0.49) CYP3A4MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9112033 0.85 AKR1C3 (0.42) MAPTKDM4EALDH1A1FYNSMN1; SMN2
SCHEMBL28747044 0.84 KDM4E (0.50) CYP3A4MAPTKDM4EALDH1A1MTNR1A
SCHEMBL9112759 0.82 MAPT (0.38) CYP3A4MAPTKDM4EALDH1A1FYN
SCHEMBL9113028 0.82 NPC1 (0.40) MAPTKDM4EALDH1A1FYNSMN1; SMN2
SCHEMBL24503112 0.81 FYN (0.39) MAPTKDM4EALDH1A1FYNSMN1; SMN2
SCHEMBL9111898 0.78 PARP10 (0.46) MTNR1A
SCHEMBL27987560 0.78 MAOB (0.55) KMT2AMEN1L3MBTL1MAOA
SCHEMBL15887344 0.74 POLB (0.56) KDM4EALDH1A1SMN1; SMN2POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
EP-2649062-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Takeda Pharmaceutical Company Limited (JP) 2013-10-16 EP disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 CYP3A4 2234/4885MAPT 3737/4885KDM4E 1862/4885

“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.