SCHEMBL766664

SCHEMBL766664

CC(C)(C)c1cccc(P)c1C(C)(C)C.CC(C)(C)c1cccc(P)c1C(C)(C)C.[Pd]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.34
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL380248 1.00 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL301235 0.98 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28640990 0.95 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL380015 0.93 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1304225 0.89 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28360323 0.89 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28997090 0.89 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL304569 0.82 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28153792 0.80 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL5910979 0.78 CA2 (0.32) CA2ALDH1A1TSHRTDP1

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-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 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-20120071474-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3CD, PIK3CG CA2 524/4885GABRA1 3399/4885GABRB2 3367/4885

“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.