SCHEMBL17449151

SCHEMBL17449151

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ACLY P53396 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
ACHE P22303 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
SCHEMBL9609574 0.81 GABRA1 (0.35) GABRA1GABRB2ACLYPOLBGAA
SCHEMBL15836404 0.77 POLB (0.37) GABRA1GABRB2POLBACHE
SCHEMBL17449150 0.77 GABRA1 (0.34) GABRA1GABRB2POLBACHE
SCHEMBL16849224 0.77 GABRA1 (0.34) GABRA1GABRB2POLBACHE
SCHEMBL10183607 0.77 GABRA1 (0.52) GABRA1GABRB2ACLYPOLBGAA
SCHEMBL16956189 0.77 TSHR (0.50) TRPV4
SCHEMBL803437 0.77 TSHR (0.50) GABRA1GABRB2ACLYPOLBGAA
SCHEMBL18077876 0.75 HMGCR (0.36) GABRA1GABRB2POLBACHE
SCHEMBL15537637 0.75 GABRA1 (0.33) GABRA1GABRB2POLBACHE
SCHEMBL13466014 0.75 RORC (0.35) GABRA1GABRB2ACLYGAA

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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 GABRA1 3096/4885GABRB2 3307/4885ACLY 2447/4885

“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.