SCHEMBL20133190

SCHEMBL20133190

O[C@H]1C[C@H](Oc2cccc(OOC3CCCCO3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
HSD11B1 P28845 1/20 0.37
SLC6A4 P31645 9/20 0.36
SLC6A2 P23975 8/20 0.36
SLC6A3 Q01959 8/20 0.36
OPRK1 P41145 3/20 0.35
OPRM1 P35372 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TNK2 Q07912 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL20128981 0.80 MEN1 (0.53) DHFRHSD11B1SLC6A4SLC6A2SLC6A3
SCHEMBL3184997 0.76 DHFR (0.53) DHFRHSD11B1SLC6A4SLC6A2SLC6A3
SCHEMBL5987851 0.70 DHFR (0.48) DHFRHSD11B1SLC6A4SLC6A2SLC6A3
SCHEMBL23975531 0.70 DHFR (0.48) DHFRHSD11B1OPRK1OPRM1KCNH2
SCHEMBL1025178 0.70 DHFR (0.54) DHFRHSD11B1TNK2KDM4C
SCHEMBL22702800 0.69 MGLL (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL21029363 0.69 MGLL (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL20270278 0.69 MGLL (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL19833673 0.69 MGLL (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL20128978 0.68 MEN1 (0.50) DHFRHSD11B1SLC6A4SLC6A2SLC6A3

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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 DHFR 2815/4885HSD11B1 4133/4885SLC6A4 4312/4885

“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.