SCHEMBL12247201

SCHEMBL12247201

CCC(C)(CC)OC(=O)CCNCCC(=O)OC(C)(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.42
CA12 O43570 3/20 0.32
CA14 Q9ULX7 3/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
LTA4H P09960 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
SCHEMBL3485766 0.80 EPHX2 (0.40) MLYCDCA12CA14TSHRCYP2D6
SCHEMBL3929481 0.80 GAA (0.42) MLYCDTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL27592388 0.78 MLYCD (0.35) MLYCDCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL948359 0.78 PAOX (0.38) MLYCDCA12CA14CYP2D6GAA
SCHEMBL16024112 0.77 EGLN1 (0.43) MLYCDTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL8157293 0.75 LMNA (0.52) TSHRALDH1A1
SCHEMBL948270 0.75 EPHX2 (0.37) MLYCDCA12CA14TSHRCYP2D6
SCHEMBL10546688 0.75 ALDH1A1 (0.36) MLYCDCYP1A2CYP2D6CYP2C19MGAM
SCHEMBL3666005 0.75 CA12 (0.42) CA12CA14TSHRGAAALDH1A1
SCHEMBL3929483 0.74 CYP2D6 (0.35) MLYCDTSHRCYP1A2CYP2D6CYP2C19

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-20110257249-A1 DRUG CARRIERS NITTO DENKO CORPORATION (JP) 2011-10-20 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-20110257249-A1 DRUG CARRIERS HDGF, FIBP, SLC47A2 MLYCD 2671/4885CA12 1387/4885CA14 1164/4885

“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.