SCHEMBL3787665

SCHEMBL3787665

O=C(OCc1ccccc1)C1(CCc2ccccn2)CCCC1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNA3 P22001 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
GRIN2B Q13224 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL1043392 0.84 HSD11B1 (0.43) CYP1A2CYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL3776673 0.78 CPB2 (0.40) CYP2C19SMN1; SMN2
SCHEMBL3779088 0.78 DDB1 (0.39) CYP3A4CYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27567104 0.76 LMNA (0.51) ALDH1A1POLB
SCHEMBL3781275 0.76 CYP17A1 (0.49) CYP3A4CYP2C9CYP2D6TDP1GRIN2B
SCHEMBL3788196 0.75 DDB1 (0.42) KCNA5KCNK3KCNA3CYP1A2CYP3A4
SCHEMBL1044762 0.74 SMN1; SMN2 (0.42) CYP2C9CYP2C19ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18494342 0.73 MAPT (0.41) ALDH1A1POLBSMN1; SMN2
SCHEMBL3782495 0.73 SMN1; SMN2 (0.52) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL1043158 0.71 SMN1; SMN2 (0.44) CYP2C9CYP2C19ALDH1A1CYP2D6SMN1; SMN2

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 KCNA5 1162/4885KCNK3 3656/4885KCNA3 3239/4885

“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.