SCHEMBL4154611

SCHEMBL4154611

CCOC(=O)c1cccc(C2=C(c3cc(Cl)c(C)cc3O)CCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGER1 P34995 1/20 0.41
MAPT P10636 8/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTSA P10619 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 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
SCHEMBL13696705 0.89 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4147291 0.88 PTGER1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4163946 0.86 PTGER1 (0.48) CYP3A4CYP2C9CYP2C19PTGER1MAPT
SCHEMBL4922487 0.85 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL5620136 0.85 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4154407 0.83 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4922618 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4158080 0.80 PTGER1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4155131 0.80 PTGER1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4924175 0.79 CYP1A2 (0.44) CYP1A2PTGER1MAPTKDM4E

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 CYP1A2 72/4885CYP3A4 271/4885CYP2C9 5/4885

“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.