SCHEMBL2814567

SCHEMBL2814567

CC(C)(C)C1=CC(=Nc2ccc(Br)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CES2 O00748 1/20 0.35
PKM P14618 1/20 0.35
CES1 P23141 1/20 0.35
MPI P34949 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
AGTR1 P30556 2/20 0.33
MCL1 Q07820 1/20 0.33
NOS1 P29475 2/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
GPR35 Q9HC97 1/20 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
SCHEMBL16675402 0.91 SMN1; SMN2 (0.57) SMN1; SMN2ATMALDH1A1MAPTHPGD
SCHEMBL1814868 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ATMALDH1A1MAPTHPGD
SCHEMBL9490926 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTHPGDMPI
SCHEMBL8971624 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ATMALDH1A1MAPTHPGD
SCHEMBL12103681 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTNPSR1CYP2C9
SCHEMBL8971203 0.73 RXRA (0.45) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8971980 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ATMALDH1A1MAPTHPGD
SCHEMBL15893569 0.73 CYP2D6 (0.36) SMN1; SMN2ATMALDH1A1MAPTHPGD
SCHEMBL18877756 0.72 CYP2D6 (0.41) SMN1; SMN2ATMALDH1A1MAPTHPGD
SCHEMBL8971390 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ATMALDH1A1MAPTHPGD

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-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 US disclosed
US-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 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-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS UGCG, MAGT1, STT3B SMN1; SMN2 3220/4885ATM 3727/4885ALDH1A1 2578/4885

“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.