SCHEMBL13697336

SCHEMBL13697336

COc1ccccc1C1=C(c2cccc(C=O)n2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
ERN1 O75460 1/20 0.36
PTGER1 P34995 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 4/20 0.36
BRD4 O60885 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSP90AA1 P07900 2/20 0.35
HSD17B10 Q99714 3/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 2/20 0.34
GAA P10253 2/20 0.34
CYP2D6 P10635 1/20 0.34
CBFB Q13951 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 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
SCHEMBL3347478 0.83 ALDH1A1 (0.47) ALDH1A1ERN1HPGDKDM4ESMN1; SMN2
SCHEMBL25390259 0.74 HSP90AA1 (0.43) ALDH1A1ERN1NFE2L2SMN1; SMN2HSP90AA1
SCHEMBL30570371 0.74 HSP90AA1 (0.43) ALDH1A1ERN1NFE2L2SMN1; SMN2HSP90AA1
SCHEMBL4159378 0.74 CYP1A2 (0.50) ALDH1A1PTGER1CYP3A4CYP2C19CYP2C9
SCHEMBL6621471 0.70 ACACA (0.47) ALDH1A1ERN1HPGDKDM4ESMN1; SMN2
SCHEMBL5620804 0.68 CYP2C9 (0.51) ALDH1A1PTGER1CYP3A4CYP2C19CYP2C9
SCHEMBL15332409 0.67 DCUN1D1 (0.48) ALDH1A1ERN1HPGDSMN1; SMN2HSD17B10
SCHEMBL25392126 0.67 TERT (0.44) ALDH1A1ERN1CYP3A4HSP90AA1GAA
SCHEMBL31505930 0.67 CYP1A2 (0.58) ALDH1A1CYP3A4CYP2C19CYP2C9KDM4E
SCHEMBL30137531 0.67 ALDH1A1 (0.52) ALDH1A1ERN1HPGDKDM4ESMN1; 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-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 ALDH1A1 1534/4885ERN1 1619/4885PTGER1 246/4885

“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.