SCHEMBL26039730

SCHEMBL26039730

C=C(C)C(=O)OCC(C)n1c(=O)ccn(CC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ ACACB O00763 1/20 0.33
▸ THRB P10828 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
SCHEMBL26064151 0.88 TSHR (0.40) TSHRACACBTHRB
SCHEMBL26039699 0.81 TSHR (0.38) TSHR
SCHEMBL26034463 0.77 TSHR (0.43) TSHRACACBTHRB
SCHEMBL26034705 0.76 THRB (0.34) TSHRTHRB
SCHEMBL26034460 0.72 TSHR (0.43) TSHRTHRB
SCHEMBL16130822 0.71 PKM (0.33) ACACB
SCHEMBL26034700 0.71 HSD17B13 (0.35) TSHRTHRB
SCHEMBL25368674 0.71 TSHR (0.47) TSHRTHRB
SCHEMBL26034717 0.69 LPO (0.40) TSHRTHRB
SCHEMBL26034769 0.69 LPO (0.35) TSHRTHRB

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-20230273455-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 — — 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-20230273455-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D TSHR 4592/4885ACACB 3275/4885THRB 4667/4885

“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.

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