SCHEMBL15698229

SCHEMBL15698229

CC(C)CC(CO)(CC(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1615096 0.94 TSHR (0.37) TSHRDPP4ALDH1A1CYP2C19
SCHEMBL6913846 0.81 DPP4 (0.40) TSHRDPP4ALDH1A1CYP2C19
SCHEMBL9788184 0.78 TSHR (0.33) TSHRDPP4ALDH1A1
SCHEMBL17464907 0.74 TSHR (0.40) TSHRCYP2C19
SCHEMBL11654287 0.73 DPP4 (0.35) TSHRDPP4ALDH1A1CYP2C19
SCHEMBL765917 0.73 DPP4 (0.35) TSHRDPP4ALDH1A1CYP2C19
SCHEMBL20224768 0.73 DPP4 (0.35) TSHRDPP4ALDH1A1CYP2C19
SCHEMBL1371359 0.72 ALDH1A1 (0.39) TSHRDPP4ALDH1A1
SCHEMBL9788217 0.71 DPP4 (0.33) TSHRDPP4
SCHEMBL27145591 0.70 ALDH1A1 (0.38) TSHRDPP4ALDH1A1

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-20140120058-A1 POLYMER CONJUGATED PROSTAGLANDIN ANALOGUES POLYACTIVA PTY LTD 2014-05-01 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-20140120058-A1 POLYMER CONJUGATED PROSTAGLANDIN ANALOGUES PTGIS, PTGS2, PTGES TSHR 2675/4885DPP4 3976/4885ALDH1A1 1077/4885

“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.