SCHEMBL6767190

SCHEMBL6767190

COC(=O)C1CCC(OCN2CCC[C@@H]2OC2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 7/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL5364402 0.78 HDAC8 (0.44) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL2432453 0.75 GAA (0.44) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL2436660 0.75 GAA (0.44) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL17802837 0.70 TP53 (0.47) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL14592478 0.69 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL2435801 0.69 GAA (0.41) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL2433765 0.69 GAA (0.41) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL17711735 0.69 GAA (0.49) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL15382523 0.69 GAA (0.49) SMN1; SMN2ALDH1A1POLBGAATP53
SCHEMBL17711734 0.69 GAA (0.49) SMN1; SMN2ALDH1A1POLBGAATP53

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-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 SMN1; SMN2 3702/4885ALDH1A1 981/4885POLB 4164/4885

“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.