SCHEMBL3781087

SCHEMBL3781087

CC(C)(C)OC(=O)CCCC1(C(=O)OCc2ccccc2)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL3789659 0.86 DDB1 (0.46) DDB1CRBN
SCHEMBL10801425 0.84 DDB1 (0.41) DDB1CRBNCYP3A4CYP2C19
SCHEMBL3776600 0.83 DDB1 (0.46) DDB1CRBNCYP3A4CYP2C9CYP2C19
SCHEMBL1042063 0.81 EPHX2 (0.33)
SCHEMBL12990128 0.74 ALDH1A1 (0.53) SYK
SCHEMBL22481266 0.74 ALDH1A1 (0.53) SYK
SCHEMBL8567197 0.73 CYP2C19 (0.33) CYP3A4CYP2C9CYP2C19
SCHEMBL3696556 0.73 DDB1 (0.49) DDB1CRBN
SCHEMBL3788196 0.72 DDB1 (0.42) DDB1CRBNCYP3A4CYP2C9CYP2C19
SCHEMBL10477317 0.72 CYP1A2 (0.39) CYP3A4CYP2C9CYP2C19

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-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R DDB1 4038/4885CRBN 764/4885CYP3A4 13/4885

“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.