SCHEMBL13838540

SCHEMBL13838540

C/C=C(/OC)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 8/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2092522 1.00 TDP1 (0.52) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL15801061 0.81 ESR1 (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2091071 0.79 CA1 (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2096972 0.79 SMN1; SMN2 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL342989 0.78 TSHR (0.50) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2777335 0.78 TSHR (0.50) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8588497 0.78 TSHR (0.50) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL14282871 0.77 LMNA (0.48) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL28732348 0.77 TDP1 (0.59) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL24079384 0.76 ALDH1A1 (0.39) TDP1ALDH1A1MAPTKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289716-A1 METHOD FOR HIGH-SPEED FLUOROMETHYLATION AND PROCESS FOR PREPARATION OF PET TRACER USING SAME RIKEN (JP) 2012-11-15 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-20120289716-A1 METHOD FOR HIGH-SPEED FLUOROMETHYLATION AND PROCESS FOR PREPARATION OF PET TRACER USING SAME FCGR1A, FCGR3B, FCGR2A TDP1 3579/4885ALDH1A1 4752/4885MAPT 4032/4885

“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.