SCHEMBL18805035

SCHEMBL18805035

CC(C)(C)OC(=O)n1ccc2cc([18F])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
ABL1 P00519 2/20 0.46
EGFR P00533 2/20 0.46
HCK P08631 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 2/20 0.46
PIK3CG P48736 2/20 0.46
EPHB4 P54760 2/20 0.46
PRKDC P78527 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
TFPI2 P48307 1/20 0.44
BUB1 O43683 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACLY P53396 1/20 0.40

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
SCHEMBL819797 1.00 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL7218364 0.88 BUB1 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL30711678 0.88 BUB1 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.84 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.84 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL31424162 0.84 ACLY (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL30147588 0.84 ACLY (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL15218078 0.83 MAP2K4 (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL312329 0.82 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL2006239 0.82 OXER1 (0.50) PIK3CDABL1EGFRHCKSRC

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-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 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 (2 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS PIK3CD 1375/4885ABL1 2/4885EGFR 635/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC PIK3CD 2973/4885ABL1 1196/4885EGFR 705/4885

“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.