SCHEMBL14049550

SCHEMBL14049550

C=C(C)OC(=O)N1CCc2cc(Br)cc(C(=O)OC)c21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 4/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CASP6 P55212 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
SCHEMBL5015055 0.83 POLB (0.48) POLBLMNARXFP1ALDH1A1MEN1
SCHEMBL552657 0.83 POLB (0.47) POLBLMNARXFP1ALDH1A1MEN1
SCHEMBL4664059 0.75 POLB (0.45) POLBLMNARXFP1ALDH1A1MEN1
SCHEMBL10211381 0.72 POLB (0.45) POLBLMNARXFP1ALDH1A1MEN1
SCHEMBL13322052 0.71 POLB (0.48) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL10211383 0.70 TSHR (0.46) POLBLMNAALDH1A1GAAPKM
SCHEMBL22859030 0.68 GRIA1 (0.51) LMNAALDH1A1KMT2A
SCHEMBL4644440 0.65 MAPT (0.49) RXFP1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL31306041 0.65 MAPT (0.49) RXFP1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL29723775 0.65 GPR119 (0.50) POLBLMNARXFP1ALDH1A1MEN1

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-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA POLB 1481/4885LMNA 3169/4885RXFP1 984/4885

“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.