SCHEMBL14958183

SCHEMBL14958183

CC1=C(CCl)CCCc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TYMS P04818 2/20 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
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
GFER P55789 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOA P21397 2/20 0.30

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
SCHEMBL14958358 0.84 TDP1 (0.41) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL14958245 0.76
SCHEMBL14059397 0.76 TDP1 (0.44) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL14059491 0.76 SMN1; SMN2 (0.43) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL14059022 0.73 PIK3CA (0.39) APPALDH1A1LMNAMAPTPPARG
SCHEMBL14059227 0.71 TDP1 (0.43) TDP1L3MBTL1PARP1PARP10TYMS
SCHEMBL2620014 0.69 PTGER1 (0.35) ALDH1A1LMNAMAPTPPARGGFER
SCHEMBL14059228 0.68 SLC6A3 (0.40) TDP1L3MBTL1PARP1PARP10
SCHEMBL23264456 0.67 L3MBTL1 (0.62) TDP1L3MBTL1PARP1PARP10CCNB2
SCHEMBL9948229 0.67 PARP10 (0.44) TDP1L3MBTL1PARP1PARP10TYMS

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.