SCHEMBL20739358

SCHEMBL20739358

COC(=O)c1cc2c(OC)c(C)c(OC)cc2c(-c2cc3cc(C)c(C)c(OC)c3c(C)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ECE1 P42892 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.31
▸ UCHL3 P15374 1/20 0.31
▸ GABRA1 P14867 1/20 0.31

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
SCHEMBL20661253 0.94 BACE1 (0.32) BACE1MAPTHPGDPOLBKDM4E
SCHEMBL20674814 0.83 DPP4 (0.32) BACE1ECE1UCHL3
SCHEMBL20661230 0.82 UCHL3 (0.31) BACE1ECE1UCHL3
SCHEMBL20739359 0.81 — —
Methylene Chloride SCHEMBL20661254 0.81 DPP4 (0.30) —
SCHEMBL20739365 0.77 — —
SCHEMBL20661219 0.75 RAD52 (0.31) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL20674813 0.70 POLB (0.35) BACE1MAPTHPGDPOLBKDM4E
SCHEMBL20661245 0.69 — —
SCHEMBL14927116 0.69 RAC1 (0.42) MAPTKDM4EALDH1A1HSD17B10ADORA3

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-10781213-B2 Methods for preparing bis-tetrahydroisoquinoline-containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-09-22 — — US 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

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 BACE1 2818/4885MAPT 1668/4885HPGD 1344/4885
US-20200157102-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds SYNCRIP, MYC, RPS27 BACE1 2818/4885MAPT 1668/4885HPGD 1344/4885
US-10781213-B2 Methods for preparing bis-tetrahydroisoquinoline-containing compounds SYNCRIP, MYC, RPS27 BACE1 2818/4885MAPT 1668/4885HPGD 1344/4885

“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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