SCHEMBL19102418

SCHEMBL19102418

CC(C)c1ccc(C2(C)COC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MAPT P10636 1/20 0.36
IDO1 P14902 2/20 0.35
TYR P14679 2/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FKBP1A P62942 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PIM1 P11309 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL10136472 0.80 NPC1 (0.37) KCNH2MAPTTYRKMT2AALDH1A1
SCHEMBL2010666 0.78 KCNH2 (0.46) KCNH2MAPTKMT2AALDH1A1MEN1
SCHEMBL13450385 0.78 WDR91 (0.42) TYRSMN1; SMN2FKBP1ANPC1RAB9A
SCHEMBL20803949 0.78 TYR (0.38) IDO1TYRNPC1RAB9APIM1
SCHEMBL13351707 0.76 KCNH2 (0.47) KCNH2KMT2AL3MBTL1
SCHEMBL22918210 0.75 PRKAB2 (0.39) IDO1TYRALDH1A1SMN1; SMN2FKBP1A
SCHEMBL25362375 0.74 KCNH2 (0.46) KCNH2MAPTTYRKMT2AALDH1A1
SCHEMBL665550 0.74 KCNH2 (0.46) KCNH2
SCHEMBL13471 0.73 KCNH2 (0.44) KCNH2KMT2AALDH1A1MEN1LMNA
SCHEMBL24342639 0.72 CA1 (0.48) KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-05-17 US disclosed
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 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-20180134692-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 KCNH2 2354/4885MAPT 4124/4885IDO1 59/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 KCNH2 2979/4885MAPT 4172/4885IDO1 352/4885

“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.