SCHEMBL20128963

SCHEMBL20128963

Brc1ccc(OCCCCCOCCCCCO[C@H]2C[C@@H](OCc3ccccc3)C2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
GABRA5 P31644 2/20 0.37
NAAA Q02083 2/20 0.34
BCHE P06276 1/20 0.34
LTA4H P09960 1/20 0.33
EPHX2 P34913 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
SLC6A4 P31645 1/20 0.33
DPP4 P27487 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL20233717 0.84 TDP1 (0.43) RENGABRA5NAAALTA4H
SCHEMBL20120315 0.82 OPRK1 (0.41) GABRA5NAAAOPRM1OPRL1SLC6A4
SCHEMBL20120314 0.82 OPRK1 (0.41) GABRA5NAAAOPRM1OPRL1SLC6A4
SCHEMBL20120673 0.81 OPRK1 (0.37) RENGABRA5NAAASLC6A4
SCHEMBL29547504 0.81 OPRK1 (0.37) RENGABRA5NAAASLC6A4
SCHEMBL20128967 0.78 SLC6A4 (0.35) RENGABRA5SLC6A4
SCHEMBL20128964 0.76 ALDH1A1 (0.43) BCHEOPRM1OPRL1DPP4CTSL
SCHEMBL20120516 0.76 NAAA (0.44) RENGABRA5NAAALTA4H
SCHEMBL1927115 0.75 GABRA5 (0.44) RENGABRA5NAAALTA4H
SCHEMBL29457401 0.72 GABRA5 (0.52) GABRA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
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 (2 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN REN 3286/4885GABRA5 2135/4885NAAA 4529/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 REN 3087/4885GABRA5 2124/4885NAAA 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.