SCHEMBL14463306

SCHEMBL14463306

CCC1OC(CC(=O)O)CC1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A12 P48065 3/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
ALDH1A1 P00352 1/20 0.32
PPP5C P53041 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL19500456 0.81 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12
SCHEMBL10305819 0.78
SCHEMBL13103845 0.74 SLC6A12 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12
SCHEMBL16769141 0.71
SCHEMBL15502123 0.71
SCHEMBL22591287 0.71
SCHEMBL3650097 0.69 TSHR (0.43) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12
SCHEMBL5413831 0.69
SCHEMBL3062281 0.69
SCHEMBL5413833 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167393-A1 Treatment of any disease that responds to modulation of gene expression, for example cancer, proliferative, inflammatory, metabolic, autoimmune, neurologic, ocular diseases; in vivo stability and bioavailability SIRNA THERAPEUTICS, INC. (US) 2007-07-19 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-20070167393-A1 Treatment of any disease that responds to modulation of gene expression, for example cancer, proliferative, inflammatory, metabolic, autoimmune, neurologic, ocular diseases; in vivo stability and bioavailability SNRPE, MSI2, SNRPF CYP1A2 4736/4885CYP2D6 3749/4885CYP2C9 4822/4885

“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.