SCHEMBL3756368

SCHEMBL3756368

O=C(c1ccc(CO)cc1)N1CCOc2ccc(-c3ccc4c(c3)OCO4)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.57
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL7866781 0.85 ALDH1A1 (0.53) HPGDNPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL3752723 0.83 PIK3CA (0.69) PIK3CA
SCHEMBL3750545 0.83 PIK3CA (0.72) PIK3CA
SCHEMBL3749014 0.83 PIK3CA (0.55) PIK3CAHPGDNPC1ALDH1A1TP53
SCHEMBL3756798 0.81 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL3754202 0.80 PIK3CA (0.83) PIK3CAMTOR
SCHEMBL3751121 0.80 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL3761157 0.78 PIK3CA (0.72) PIK3CAHPGDNPC1ALDH1A1TP53
SCHEMBL3755611 0.74 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL3747300 0.74 PIK3CA (0.65) PIK3CAHPGDNPC1ALDH1A1TP53

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PIK3CA 16/4885HPGD 1748/4885NPC1 181/4885

“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.