SCHEMBL20457971

SCHEMBL20457971

CCc1cc(C)ccc1N1CCN(C2COC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALK Q9UM73 4/20 0.43
INSR P06213 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
SLC18A3 Q16572 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
DRD2 P14416 7/20 0.36
DRD4 P21917 5/20 0.36
MAPT P10636 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL17665055 0.82 ALDH1A1 (0.52) GAAALOX12SMN1; SMN2ALDH1A1SLC18A3
SCHEMBL17642603 0.81 KCNH2 (0.40) GAAALOX12SMN1; SMN2ALKALDH1A1
SCHEMBL17642589 0.80 SMN1; SMN2 (0.45) GAAALOX12SMN1; SMN2ALDH1A1TSHR
SCHEMBL17642596 0.78 SMN1; SMN2 (0.39) GAAALOX12SMN1; SMN2ALKALDH1A1
SCHEMBL15337444 0.78 TBK1 (0.46) ALKKITKDR
SCHEMBL17642726 0.78 GAA (0.40) GAAALOX12SMN1; SMN2ALKINSR
SCHEMBL16440187 0.78 ALDH1A1 (0.43) GAAALOX12SMN1; SMN2ALDH1A1DRD2
SCHEMBL12072936 0.77 HTR1A (0.51) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL19203563 0.77 ALDH1A1 (0.46) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL17665058 0.77 PDE3B (0.40) GAAALOX12SMN1; SMN2ALDH1A1SLC18A3

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-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 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-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS GAA 3183/4885ALOX12 4388/4885SMN1; SMN2 2291/4885

“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.