SCHEMBL20115797

SCHEMBL20115797

CC(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
▸ HCAR2 Q8TDS4 5/20 0.40
▸ HCAR3 P49019 2/20 0.40
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DAO P14920 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL2524462 0.69 CGAS (0.47) CGASHCAR2LMNAHSD17B10DAO
SCHEMBL17501768 0.69 — —
SCHEMBL11969830 0.67 — —
Water SCHEMBL6788837 0.65 CGAS (0.44) CGASLMNAALDH1A1HSD17B10
SCHEMBL231287 0.64 — —
SCHEMBL5006369 0.62 CGAS (0.42) CGASLMNA
SCHEMBL12408184 0.62 CGAS (0.42) CGASLMNA
SCHEMBL10765607 0.61 CGAS (0.41) CGASLMNAALDH1A1
SCHEMBL19085970 0.61 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2826925 0.60 KDM4E (0.46) HCAR2HCAR3LMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018153893-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2018-08-30 — — WO 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 (1 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 1375/4885HCAR2 404/4885HCAR3 412/4885

“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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