SCHEMBL13100015

SCHEMBL13100015

C=C1OB(c2cnn(CC)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
KMT2A Q03164 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
SCHEMBL10280195 0.85 FFAR1 (0.43) FFAR1
SCHEMBL12309941 0.82 FFAR1 (0.39) FFAR1
SCHEMBL9888234 0.82 FFAR1 (0.39) FFAR1
SCHEMBL3397660 0.82 FFAR1 (0.35) FFAR1
SCHEMBL12513161 0.81 FFAR1 (0.36) FFAR1
SCHEMBL8270153 0.80 FFAR1 (0.37) FFAR1
SCHEMBL12826986 0.80 FFAR1 (0.37) FFAR1
SCHEMBL4251935 0.80 FFAR1 (0.38) FFAR1
SCHEMBL12568451 0.79 JAK2 (0.37) FFAR1
SCHEMBL4258112 0.79 FFAR1 (0.39) FFAR1

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
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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 (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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 FFAR1 2209/4885KMT2A 637/4885

“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.