SCHEMBL20545129

SCHEMBL20545129

CC(C)(C)OC(=O)NCCN1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CACNA1H O95180 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ACE P12821 1/20 0.41
DRD2 P14416 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.40
BTK Q06187 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38

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
SCHEMBL18851365 0.89 EPHX1 (0.46) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL18851364 0.89 EPHX1 (0.46) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL29283308 0.89 EPHX1 (0.41) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL6828378 0.88 EPHX1 (0.45) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL22151747 0.88 EPHX1 (0.45) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL337969 0.88 EPHX1 (0.45) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL7131093 0.88 EPHX1 (0.45) EPHX1SMN1; SMN2CACNA1HMEN1KMT2A
SCHEMBL16279605 0.86 TDP1 (0.48) EPHX1MEN1KMT2AGAADRD2
SCHEMBL16279606 0.86 TDP1 (0.48) EPHX1MEN1KMT2AGAADRD2
SCHEMBL8699456 0.86 SMN1; SMN2 (0.44) EPHX1SMN1; SMN2MEN1KMT2AGAA

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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 EPHX1 1907/4885SMN1; SMN2 4665/4885CACNA1H 4003/4885

“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.