SCHEMBL3779088

SCHEMBL3779088

O=C(OCc1ccccc1)C1(CCCCBr)CCCC1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3776673 0.88 CPB2 (0.40) DDB1CRBNNR1H2NR1H3SMN1; SMN2
SCHEMBL3787665 0.78 KCNA5 (0.42) TDP1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL3781275 0.77 CYP17A1 (0.49) KMT2ATDP1CYP3A4CYP2C9
SCHEMBL1044762 0.77 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL3782495 0.76 SMN1; SMN2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL27567104 0.75 LMNA (0.51) KMT2ANPC1RAB9A
SCHEMBL1043158 0.74 SMN1; SMN2 (0.44) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL3776600 0.74 DDB1 (0.46) DDB1CRBNSLC6A2SLC6A3KMT2A
SCHEMBL3776399 0.73 SMN1; SMN2 (0.54) KMT2ANPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1665018 0.72 TSHR (0.39) TDP1NR1H2NR1H3CYP3A4

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 764/4885SLC6A2 3353/4885

“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.