SCHEMBL14616695

SCHEMBL14616695

CCC1OC(F)C(OCc2ccccc2)C(C)C1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
TACR2 P21452 3/20 0.34
TACR1 P25103 3/20 0.34
BCHE P06276 2/20 0.34
SLC6A2 P23975 1/20 0.33
FGF1 P05230 2/20 0.33
FGF2 P09038 2/20 0.33
VEGFA P15692 2/20 0.33
HPSE Q9Y251 2/20 0.33
HTR1A P08908 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL18235719 0.87 PDPK1 (0.38) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL18235697 0.87 PDPK1 (0.38) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL10314113 0.86 HTR1A (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17773520 0.85 PDPK1 (0.39) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL15504369 0.84 FGF1 (0.43) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL18328600 0.84 FGF1 (0.43) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL14616679 0.83 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL17145388 0.83 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL18328626 0.83 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL10117423 0.82 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4

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-9181293-B2 Method for the synthesis of aspalathin and analogues thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2015-11-10 US disclosed
US-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2013-01-17 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-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof ASPH, C9, ALDH3A1 PDPK1 1683/4885MTOR 2120/4885SSTR1 3639/4885

“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.