SCHEMBL22348784

SCHEMBL22348784

Fc1ccc(C2(c3ccccc3)CCCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
OPRM1 P35372 7/20 0.40
SLC6A3 Q01959 2/20 0.39
HSD11B1 P28845 1/20 0.38
ICMT O60725 1/20 0.37
RORC P51449 1/20 0.37
S1PR1 P21453 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL8666950 0.89 DPP4 (0.41) OPRM1SLC6A3SLC6A4
SCHEMBL7003423 0.87 SLC6A2 (0.41) OPRM1SLC6A3SLC6A4
SCHEMBL21574981 0.85 ACHE (0.43) HDAC6SLC6A3HSD11B1RORCSLC6A4
SCHEMBL1569110 0.83 DPP4 (0.38) OPRM1
SCHEMBL1256629 0.83 ESR2 (0.46)
SCHEMBL12893261 0.81 ESR2 (0.47)
SCHEMBL21574987 0.80 HDAC6 (0.41) HDAC6SLC6A3HSD11B1SLC6A4
SCHEMBL21574977 0.79 ACHE (0.45) HDAC6SLC6A3RORCSLC6A4
SCHEMBL21575094 0.79 HDAC6 (0.44) HDAC6SLC6A3HSD11B1SLC6A4
SCHEMBL21575093 0.79 HDAC6 (0.47) HDAC6OPRM1SLC6A3HSD11B1SLC6A4

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-10745389-B2 HDAC6 selective inhibitors, preparation method therefor, and application thereof CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-08-18 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-10745389-B2 HDAC6 selective inhibitors, preparation method therefor, and application thereof HDAC6, HDAC1, HDAC11 HDAC6 1/4885OPRM1 4703/4885SLC6A3 2482/4885

“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.