SCHEMBL20661219

SCHEMBL20661219

COc1cc2c(-c3cc4cc(C)c(OC)c(OC)c4c(C)n3)nc(CO)cc2c(OC)c1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RAC1 P63000 1/20 0.30

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
SCHEMBL20661245 0.84 — —
SCHEMBL20661253 0.81 BACE1 (0.32) RAD52KDM4EMAPTMEN1POLB
SCHEMBL20674814 0.77 DPP4 (0.32) —
SCHEMBL20739358 0.75 BACE1 (0.32) RAD52KDM4EMAPTMEN1POLB
Methylene Chloride SCHEMBL20661254 0.75 DPP4 (0.30) —
SCHEMBL20661230 0.70 UCHL3 (0.31) —
SCHEMBL20739359 0.69 — —
SCHEMBL20661273 0.67 — —
SCHEMBL20661239 0.64 — —
SCHEMBL20661263 0.63 TUBB4A (0.36) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781213-B2 Methods for preparing bis-tetrahydroisoquinoline-containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-09-22 — — US disclosed
EP-3655379-A1 METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS California Institute of Technology (US) 2020-05-27 — — EP disclosed
US-20200157102-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 — — US disclosed
US-20190048009-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-02-14 — — US disclosed
WO-2019018539-A1 METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-01-24 — — WO disclosed
WO-2019018539-A1 METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-01-24 — — WO 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 (3 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-20190048009-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds SYNCRIP, MYC, RPS27 RAD52 1300/4885KDM4E 4213/4885MAPT 1668/4885
US-20200157102-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds SYNCRIP, MYC, RPS27 RAD52 1300/4885KDM4E 4213/4885MAPT 1668/4885
US-10781213-B2 Methods for preparing bis-tetrahydroisoquinoline-containing compounds SYNCRIP, MYC, RPS27 RAD52 1300/4885KDM4E 4213/4885MAPT 1668/4885

“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.

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