SCHEMBL14960673

SCHEMBL14960673

COC(=O)C1=C(O)c2cc(Br)ccc2CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.40
SLC6A2 P23975 5/20 0.40
ABCB1 P08183 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL14059228 0.86 SLC6A3 (0.40) SLC6A3SLC6A2ATML3MBTL1NPC1
SCHEMBL21557572 0.84 NR4A2 (0.38) SLC6A3L3MBTL1ALDH1A1
SCHEMBL14059362 0.76 TDP1 (0.35) SLC6A3SLC6A2L3MBTL1ALDH1A1TDP1
SCHEMBL12389716 0.75 CA12 (0.47) ATML3MBTL1KDM4EALDH1A1HPGD
SCHEMBL6648373 0.74 L3MBTL1 (0.42) SLC6A3L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL21474580 0.74 SLC6A3 (0.44) SLC6A3SLC6A2L3MBTL1KDM4EALDH1A1
SCHEMBL29292695 0.73 HSD17B3 (0.54) SLC6A3SLC6A2ATML3MBTL1KDM4E
SCHEMBL12797306 0.73 ATM (0.39) ATML3MBTL1KDM4ETDP1
SCHEMBL14059227 0.72 TDP1 (0.43) ATML3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12797321 0.72 ACHE (0.41) SLC6A3ATML3MBTL1KDM4EALDH1A1

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-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 SLC6A3 1973/4885SLC6A2 352/4885ABCB1 753/4885

“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.