SCHEMBL17050951

SCHEMBL17050951

COCCOC(CC(=O)OC)(CC(=O)OC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TET2 Q6N021 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL28184902 0.79 USP2 (0.48) TSHRUSP2LMNAHSD17B10RECQL
SCHEMBL15316796 0.78
SCHEMBL17050952 0.78 NAMPT (0.31)
Ammonia Solution, Strong SCHEMBL11106048 0.78 USP2 (0.47) TSHRUSP2LMNAHSD17B10RECQL
SCHEMBL10905911 0.78 USP2 (0.35) USP2LMNAHSD17B10MGAMGAA
SCHEMBL2830033 0.77 TSHR (0.42) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL3282107 0.75 TSHR (0.40) TSHRUSP2LMNAHSD17B10MGAM
Ammonia Solution, Strong SCHEMBL1306802 0.75 TSHR (0.40) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL17578511 0.75 RECQL (0.32) USP2LMNARECQL
SCHEMBL2687588 0.74 LMNA (0.37) TSHRUSP2LMNAHSD17B10MGAM

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-9481643-B2 Fluorosurfactants MERCK PATENT GMBH (DE) 2016-11-01 US disclosed
US-20150246875-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2015-09-03 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-20150246875-A1 FLUOROSURFACTANTS FPR3, Q6ZSR9, FLNB TSHR 3231/4885USP2 3714/4885LMNA 3586/4885

“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.