SCHEMBL4154407

SCHEMBL4154407

CCOC(=O)c1cccc(C2=C(c3cc(Br)ccc3O)CCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
PTGER1 P34995 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
ALOX5 P09917 2/20 0.36

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
SCHEMBL4922618 0.98 CYP1A2 (0.47) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL5620136 0.89 CYP1A2 (0.49) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL4156061 0.88 CYP1A2 (0.45) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL4166101 0.88 PTGER1 (0.45) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL4147291 0.88 PTGER1 (0.49) CYP1A2ALDH1A1MAPTKMT2APTGER1
SCHEMBL4147556 0.87 SMN1; SMN2 (0.41) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL4919224 0.86 CYP1A2 (0.45) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL4922487 0.85 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTKMT2APTGER1
SCHEMBL4147438 0.85 CYP1A2 (0.45) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2
SCHEMBL13696878 0.84 PTGER1 (0.44) CYP1A2ALDH1A1SMN1; SMN2MAPTGABRG2

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 5 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
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO 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 CYP1A2 72/4885ALDH1A1 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.