SCHEMBL15907146

SCHEMBL15907146

CC(C)(C)c1cc(Cl)cc(C2CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ACLY P53396 2/20 0.31
KIF11 P52732 2/20 0.30
NOTUM Q6P988 1/20 0.30
POLB P06746 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
SCHEMBL24123999 0.88 HTR2C (0.44) GABRA1
SCHEMBL24123874 0.86 LSS (0.42) POLB
SCHEMBL1659020 0.80 NOTUM (0.46) GABRB2ACLYNOTUM
SCHEMBL1662047 0.80 TSHR (0.41) POLB
SCHEMBL15561902 0.78 TSHR (0.47) POLB
SCHEMBL24130965 0.76 NOTUM (0.33) GABRA1GABRB2KIF11NOTUMPOLB
SCHEMBL16960033 0.76 NOTUM (0.33) GABRA1GABRB2NOTUMPOLB
SCHEMBL10183607 0.75 GABRA1 (0.52) GABRA1GABRB2ACLYPOLB
SCHEMBL803437 0.75 TSHR (0.50) GABRA1GABRB2ACLYPOLB
SCHEMBL15516386 0.73 NOTUM (0.41) GABRB2ACLYNOTUM

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-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 GABRA1 3469/4885GABRB2 4210/4885ACLY 4572/4885

“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.