SCHEMBL20414770

SCHEMBL20414770

CCCCCCC(CCCCC)c1c(C)noc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
TLR8 Q9NR97 1/20 0.34
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NR1I2 O75469 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
DNM1 Q05193 1/20 0.30
NPY2R P49146 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
SCHEMBL19237046 1.00 GAA (0.39) GAATLR8LMNATP53NR1I2
SCHEMBL19544072 1.00 GAA (0.39) GAATLR8LMNATP53NR1I2
SCHEMBL20633873 1.00 GAA (0.39) GAATLR8LMNATP53NR1I2
SCHEMBL23172216 0.98 GAA (0.38) GAATLR8LMNATP53DNM1
SCHEMBL26787995 0.98 GAA (0.38) GAATLR8LMNATP53DNM1
SCHEMBL22350121 0.97 GAA (0.37) GAATLR8TP53
SCHEMBL23219668 0.93 GAA (0.37) GAATLR8TP53NR1I2
SCHEMBL22597187 0.84 GAA (0.38) GAATLR8LMNATP53
SCHEMBL23082899 0.84 GAA (0.38) GAATLR8LMNATP53
SCHEMBL23545042 0.83 LMNA (0.33) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530204-B2 Biocatalytic synthesis of cryptophycin anticancer agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-12-20 US disclosed
US-20210094942-A1 BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-04-01 US disclosed
US-10287267-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2019-05-14 US disclosed
US-20180208580-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 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 (4 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-10287267-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK1B GAA 3825/4885TLR8 1958/4885LMNA 3767/4885
US-20210094942-A1 BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS HCCS, ERG28, COASY GAA 396/4885TLR8 4028/4885LMNA 3854/4885
US-20180208580-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK1B GAA 3825/4885TLR8 1958/4885LMNA 3767/4885
US-11530204-B2 Biocatalytic synthesis of cryptophycin anticancer agents HCCS, ERG28, COASY GAA 396/4885TLR8 4028/4885LMNA 3854/4885

“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.