SCHEMBL4159867

SCHEMBL4159867

CCOC(=O)c1cc(C2=C(c3cc(Br)ccc3O)CCC2)cnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRG2 P18507 6/20 0.37
GABRB3 P28472 6/20 0.37
GABRA5 P31644 6/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
HTT P42858 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
ALOX5 P09917 3/20 0.34
GABRP O00591 1/20 0.34

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
SCHEMBL4154404 0.88 PTGER1 (0.54) PTGER1SMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL5619593 0.82 CYP2C9 (0.43) PTGER1SMN1; SMN2LMNACA12CA1
SCHEMBL4155974 0.80 PTGER1 (0.37) PTGER1
SCHEMBL4147556 0.80 SMN1; SMN2 (0.41) PTGER1ALDH1A1SMN1; SMN2GABRG2GABRB3
SCHEMBL4154407 0.78 CYP1A2 (0.47) PTGER1ALDH1A1SMN1; SMN2GABRG2GABRB3
SCHEMBL4146588 0.78 MAPT (0.41) PTGER1ALDH1A1SMN1; SMN2LMNACA12
SCHEMBL4922618 0.76 CYP1A2 (0.47) PTGER1ALDH1A1SMN1; SMN2GABRG2GABRB3
SCHEMBL4158410 0.73 GABRG2 (0.38) PTGER1ALDH1A1SMN1; SMN2GABRG2GABRB3
SCHEMBL4149780 0.71 PTGER1 (0.82) PTGER1
SCHEMBL5619860 0.71 PTGER1 (0.47) PTGER1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGER1 246/4885ALDH1A1 1534/4885SMN1; SMN2 3323/4885

“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.