SCHEMBL4152940

SCHEMBL4152940

C=CC(=O)OCCOC12CCC(C1)C1CCCC12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.32
THRB P10828 2/20 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
SCHEMBL7198671 0.81
SCHEMBL7613359 0.80
SCHEMBL7612641 0.78 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4909910 0.77
SCHEMBL30945099 0.75 TSHR (0.33) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12396642 0.75 TSHR (0.30) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13558714 0.75 TSHR (0.30) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9909133 0.75 TSHR (0.30) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7612885 0.71 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL642795 0.71

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-20090124776-A1 Cycloaliphatic epoxy (meth)acrylates, preparation processes thereof, and copolymers DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-14 US disclosed
EP-1818327-A1 ALICYCLIC EPOXY (METH)ACRYLATES, PROCESS FOR PRODUCTION THEREOF, AND COPOLYMERS Daicel Chemical Industries, Ltd. (JP) 2007-08-15 EP 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-20090124776-A1 Cycloaliphatic epoxy (meth)acrylates, preparation processes thereof, and copolymers MEP1B, MEP1A, ACMSD TSHR 3947/4885ALDH1A1 1902/4885TP53 4821/4885

“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.