SCHEMBL20132896

SCHEMBL20132896

O[C@H]1C[C@H](OCCOCCOCCOCCOCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
TSHR P16473 1/20 0.44
NAAA Q02083 1/20 0.43
EPHX2 P34913 2/20 0.40
LIPG Q9Y5X9 1/20 0.40
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
LTA4H P09960 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL20233632 0.83 PDE4D (0.38) PDE4DTSHRNAAAEPHX2LIPG
SCHEMBL16533210 0.83 CTSL (0.50) TSHRNAAAEPHX2CTSLCTSB
SCHEMBL426503 0.83 CTSL (0.50) TSHRNAAAEPHX2CTSLCTSB
SCHEMBL989536 0.83 CTSL (0.50) TSHRNAAAEPHX2CTSLCTSB
SCHEMBL21811816 0.81 SMN1; SMN2 (0.43) PDE4DTSHREPHX2LIPGHTT
SCHEMBL23868167 0.81 TSHR (0.52) TSHRNAAALIPGLTA4HLMNA
SCHEMBL20129162 0.80 TSHR (0.47) TSHRNAAAEPHX2LIPGLTA4H
SCHEMBL20129240 0.80 TSHR (0.47) TSHRNAAAEPHX2LIPGLTA4H
SCHEMBL24761916 0.78 TSHR (0.41) PDE4DTSHRNAAALIPGLTA4H
SCHEMBL21456425 0.78 TSHR (0.48) TSHRNAAALIPGLTA4HLMNA

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 PDE4D 4156/4885TSHR 3954/4885NAAA 4503/4885

“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.