SCHEMBL19929368

SCHEMBL19929368

O=C1CCC(COCCCCOCC2COC(=O)O2)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.31
CA9 Q16790 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
SCHEMBL19340113 0.89 CYP1A2 (0.37) CYP1A2CA1CA9
SCHEMBL16675416 0.89 TSHR (0.52) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL22193341 0.87 TSHR (0.50) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL14003900 0.87 TSHR (0.50) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL1104614 0.87 CYP1A2 (0.36) TSHRCYP1A2ALDH1A1TDP1SMN1; SMN2
SCHEMBL9999658 0.87 CYP1A2 (0.36) CYP1A2CA1CA9
SCHEMBL16663913 0.85 TSHR (0.47) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL1104612 0.85 CYP1A2 (0.35) CYP1A2SMN1; SMN2
SCHEMBL15851165 0.83 CYP1A2 (0.33) CYP1A2SMN1; SMN2
SCHEMBL6553153 0.82 TSHR (0.40) TSHRALDH1A1TDP1SMN1; SMN2

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-20180065948-A1 Method for Synthesizing Cyclic Carbonates HENKEL AG & CO. KGAA (DE) 2018-03-08 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-20180065948-A1 Method for Synthesizing Cyclic Carbonates CA2, CA12, CA13 TSHR 4590/4885CYP1A2 1836/4885ALDH1A1 4799/4885

“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.