SCHEMBL5077875

SCHEMBL5077875

COC(=O)CC(C)C(C)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HSD17B10 Q99714 2/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.37
TET2 Q6N021 1/20 0.37
MEN1 O00255 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KCNA5 P22460 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 4/20 0.35

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
SCHEMBL5081302 1.00 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL28718238 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL9908330 0.89 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL30599691 0.88 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL16221586 0.88 MGAM (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL9153932 0.87 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL14763918 0.87 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL29205847 0.85 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL10201330 0.85 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL3389649 0.83 SMN1; SMN2 (0.48) TSHRHSD17B10MGAMGAASI

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019110355-A1 BRANCHED ADIPIC ACID BASED ESTERS AS NOVEL BASE STOCKS AND LUBRICANTS BASF SE (DE) 2019-06-13 WO disclosed
US-9829487-B2 Self-assembled monolayers and methods for using the same in biosensing applications NUTECH VENTURES (US) 2017-11-28 US disclosed
US-9829487-B2 Self-assembled monolayers and methods for using the same in biosensing applications NUTECH VENTURES (US) 2017-11-28 US disclosed
US-9079835-B2 Self-assembled monolayers and methods for using the same in biosensing applications NUTECH VENTURES (US) 2015-07-14 US disclosed
US-9079835-B2 Self-assembled monolayers and methods for using the same in biosensing applications NUTECH VENTURES (US) 2015-07-14 US disclosed
US-20120315625-A1 SELF-ASSEMBLED MONOLAYERS AND METHODS FOR USING THE SAME IN BIOSENSING APPLICATIONS NATIONAL SCIENCE FOUNDATION 2012-12-13 US disclosed
EP-1912936-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2008-04-23 EP disclosed
WO-2007010387-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-25 WO 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-20120315625-A1 SELF-ASSEMBLED MONOLAYERS AND METHODS FOR USING THE SAME IN BIOSENSING APPLICATIONS SPR, SAMSN1, NAPA TSHR 3540/4885HSD17B10 2136/4885MGAM 2022/4885

“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.