SCHEMBL20115738

SCHEMBL20115738

CC(C)(C)c1n[nH]c(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.42
LMNA P02545 1/20 0.36
F2 P00734 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HCAR2 Q8TDS4 8/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 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
SCHEMBL17501768 0.69
SCHEMBL9818953 0.67 POLB (0.46) LMNAMAPTHSD17B10KMT2A
SCHEMBL11969830 0.67
Water SCHEMBL6788837 0.65 CGAS (0.44) CGASLMNAHSD17B10KMT2A
SCHEMBL1997096 0.64 ALPL (0.35) LMNAMAPT
SCHEMBL5006369 0.62 CGAS (0.42) CGASLMNA
SCHEMBL16063687 0.62 HSD17B10 (0.45) CGASLMNAF2MAPTHSD17B10
SCHEMBL23942726 0.61 SCD (0.37) KMT2A
SCHEMBL12332375 0.61 GRN (0.38) CGASLMNAKMT2AGLRA3GLRB
SCHEMBL10765607 0.61 CGAS (0.41) CGASLMNAMAPT

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
CN-118307564-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-07-09 CN disclosed
US-10640466-B2 Anthracene based compounds and their uses UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2020-05-05 US disclosed
US-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2018-05-03 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-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES CYP2D6, CYP3A43, ACMSD CGAS 1375/4885LMNA 823/4885F2 658/4885
US-10640466-B2 Anthracene based compounds and their uses CYP2D6, CYP3A43, ACMSD CGAS 1375/4885LMNA 823/4885F2 658/4885

“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.