SCHEMBL17879657

SCHEMBL17879657

CC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP2D6 P10635 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OGA O60502 1/20 0.32
CHRM2 P08172 5/20 0.31
CHRM1 P11229 3/20 0.31
CHRM4 P08173 2/20 0.31
CHRM3 P20309 2/20 0.31
PTGS2 P35354 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14477774 0.84 CA2 (0.45) TSHRCYP2D6CA12CA1CA2
SCHEMBL26499159 0.84 CA2 (0.45) TSHRCYP2D6CA12CA1CA2
SCHEMBL9910565 0.78 TSHR (0.36) TSHRCYP2D6CA12CA1CA2
SCHEMBL9910569 0.78 TSHR (0.36) TSHRCYP2D6CA12CA1CA2
SCHEMBL17972374 0.78 TSHR (0.36) TSHRCYP2D6CA12CA1CA2
SCHEMBL15489375 0.78 TSHR (0.36) TSHRCYP2D6CA12CA1CA2
SCHEMBL6974952 0.78 TSHR (0.36) TSHRCYP2D6CA12CA1CA2
SCHEMBL11949492 0.78 TSHR (0.51) TSHRCYP2D6CA12CA1CA2
SCHEMBL12450450 0.78 TSHR (0.51) TSHRCYP2D6CA12CA1CA2
SCHEMBL21859074 0.77

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-9688707-B2 Bicyclic morpholino compounds and oligomeric compounds prepared therefrom IONIS PHARMACEUTICALS, INC. (US) 2017-06-27 US disclosed
US-20160186175-A1 BICYCLIC MORPHOLINO COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS, INC. (US) 2016-06-30 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-20160186175-A1 BICYCLIC MORPHOLINO COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM HNRNPM, UPF1, METTL16 TSHR 4646/4885CYP2D6 4547/4885CA12 4525/4885

“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.