SCHEMBL26035129

SCHEMBL26035129

C=C(C)C(=O)OCCCCCCCCCCCCn1ccc(=O)[nH]c1=S

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DUT P33316 6/20 0.39
NAAA Q02083 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
EP300 Q09472 1/20 0.35
PDE3A Q14432 1/20 0.34

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
SCHEMBL26035122 1.00 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26035127 1.00 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26035117 1.00 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26035119 1.00 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205062 0.95 DUT (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205050 0.89 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205051 0.89 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26035157 0.89 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205341 0.89 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26035155 0.89 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1

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 4592/4885POLB 1376/4885APEX1 133/4885

“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.