SCHEMBL19701698

SCHEMBL19701698

CCOC(=O)C1(C(C)C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
OPRM1 P35372 6/20 0.34
KDM4E B2RXH2 3/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
ATM Q13315 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL14504414 0.94 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL12868735 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11383592 0.87 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8561734 0.81 OPRM1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL18063174 0.81 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL13573040 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11292675 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AKCNH2LMNA
SCHEMBL23200345 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL21879315 0.80 OPRM1 (0.38) SMN1; SMN2MEN1KMT2APOLBOPRM1
Hydrochloric Acid SCHEMBL21749192 0.79 OPRM1 (0.38) SMN1; SMN2MEN1KMT2APOLBOPRM1

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-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 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-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 ALDH1A1 1533/4885SMN1; SMN2 253/4885MEN1 3278/4885

“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.