SCHEMBL4159378

SCHEMBL4159378

CCOC(=O)c1cccc(C2=C(c3ccccc3OC)CCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER1 P34995 1/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
ACHE P22303 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42

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
SCHEMBL5620804 0.91 CYP2C9 (0.51) CYP1A2HPGDALDH1A1MAPTCYP3A4
SCHEMBL4155858 0.87 CACNB4 (0.43) CYP1A2HPGDMAPTCYP2C9PTGER1
SCHEMBL4156061 0.86 CYP1A2 (0.45) CYP1A2ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL4155131 0.86 PTGER1 (0.54) CYP1A2MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4170630 0.85 PTGER1 (0.50) CYP1A2HPGDALDH1A1MAPTCYP3A4
SCHEMBL4158672 0.85 PTGER1 (0.46) CYP1A2ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL4914240 0.84 PTGER1 (0.51) CYP1A2MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5696865 0.84 PTGER1 (0.47) CYP1A2HPGDALDH1A1MAPTCYP3A4
SCHEMBL4919224 0.84 CYP1A2 (0.45) CYP1A2ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL4155487 0.84 PTGER1 (0.49) CYP1A2ALDH1A1MAPTCYP3A4CYP2C9

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 2 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

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 72/4885HPGD 2409/4885ALDH1A1 1534/4885

“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.