SCHEMBL3789659

SCHEMBL3789659

O=C(O)CCCC1(C(=O)OCc2ccccc2)CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
HTT P42858 1/20 0.44
FFAR4 Q5NUL3 5/20 0.40
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL3776600 0.88 DDB1 (0.46) DDB1CRBNSLC6A3
SCHEMBL3781087 0.86 DDB1 (0.41) DDB1CRBN
SCHEMBL10801425 0.84 DDB1 (0.41) DDB1CRBNSMN1; SMN2
SCHEMBL3696556 0.79 DDB1 (0.49) DDB1CRBN
SCHEMBL3788196 0.78 DDB1 (0.42) DDB1CRBNSMN1; SMN2
SCHEMBL8432120 0.77 HTT (0.48) DDB1CRBNHTTFFAR4HDAC3
Amicibone SCHEMBL1643546 0.77 MAPK1 (0.46) DDB1CRBNHTTMAPK1SMN1; SMN2
Amicibone SCHEMBL317245 0.76 MAPK1 (0.47) DDB1CRBNHTTMAPK1SMN1; SMN2
SCHEMBL3787741 0.75 CYP17A1 (0.47) DDB1CRBN
SCHEMBL27629140 0.75 MEN1 (0.49) MAPK1

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 764/4885HTT 3042/4885

“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.