SCHEMBL18216705

SCHEMBL18216705

CC(C)(C)OC(=O)NC12CCCC(C(=O)O)(CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSL P07711 1/20 0.32
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DGAT1 O75907 1/20 0.30
PTGFR P43088 1/20 0.30
FPR2 P25090 1/20 0.30
GRM5 P41594 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
FOLH1 Q04609 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
SCHEMBL1535995 0.94 KMT2A (0.38) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL3213624 0.91 BTK (0.37) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL19747528 0.88 KMT2A (0.38) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL16244146 0.87 MEN1 (0.34) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL1536186 0.84 MEN1 (0.40) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL22237434 0.83 GAA (0.32) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL18038894 0.82 KMT2A (0.41) BTKKMT2AMEN1MAPK1DPP8
SCHEMBL28961660 0.81 KMT2A (0.38) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL3210704 0.81 MEN1 (0.35) BTKKMT2AMEN1MAPK1CTSL
SCHEMBL20940177 0.81 MEN1 (0.35) BTKKMT2AMEN1MAPK1CTSL

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-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2016-11-10 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-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 BTK 1870/4885KMT2A 3162/4885MEN1 485/4885

“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.