SCHEMBL14958358

SCHEMBL14958358

CC1=C(CO)CCCc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TYMS P04818 1/20 0.35
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PNMT P11086 4/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL14958183 0.84 TDP1 (0.41) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL14059357 0.81 PDE10A (0.34) TYMSMAOAMAOBMAPTSMN1; SMN2
SCHEMBL14059491 0.78 SMN1; SMN2 (0.43) TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL14958244 0.76
SCHEMBL14059397 0.76 TDP1 (0.44) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL14059227 0.74 TDP1 (0.43) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL14059037 0.73 MAPT (0.42) TDP1L3MBTL1APPMAOBMAPT
SCHEMBL14059228 0.71 SLC6A3 (0.40) TDP1L3MBTL1PARP1PARP10
SCHEMBL14059113 0.69 IDO1 (0.45) TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL2620005 0.69 PTGER1 (0.35) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B TDP1 3953/4885L3MBTL1 1061/4885PARP1 3940/4885

“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.