SCHEMBL25696261

SCHEMBL25696261

C=C1Nc2cccc(C(C)(C)C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
KIF11 P52732 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL15469366 0.75 CA2 (0.33) CA2KIF11GABRA1GABRB2ALDH1A1
SCHEMBL25527419 0.71 CA2 (0.36) CA2KIF11GABRA1GABRB2ALDH1A1
SCHEMBL22129270 0.71 ALOX5 (0.34) CA2KIF11
SCHEMBL24654883 0.67 CA2 (0.32) CA2
SCHEMBL22822780 0.67 PARP1 (0.53)
SCHEMBL15580435 0.66 CA2 (0.46) CA2KIF11GABRA1GABRB2ALDH1A1
SCHEMBL10558804 0.65 ALOX5 (0.50) ALDH1A1TDP1
SCHEMBL25696263 0.64 CA2 (0.36) CA2KIF11GABRA1GABRB2ALDH1A1
SCHEMBL811488 0.64 DRD1 (0.46) CA2KIF11GABRA1GABRB2ALDH1A1
SCHEMBL4968933 0.64 BRD4 (0.37) CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 CA2 3037/4885KIF11 1229/4885GABRA1 3287/4885

“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.