SCHEMBL20009174

SCHEMBL20009174

CC(=O)O[C@H]1CC[C@@H]2C(=O)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TLR4 O00206 4/20 0.33
CHRM2 P08172 6/20 0.32
CHRM4 P08173 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
CHRM5 P08912 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL11312946 0.90 CHRM2 (0.36) ALDH1A1TP53MAPTMAPK1CHRM2
SCHEMBL11316954 0.75 CHRM2 (0.39) ALDH1A1TP53MAPTMAPK1CHRM2
SCHEMBL7334201 0.73 CHRM2 (0.44) ALDH1A1TP53MAPTMAPK1CHRM2
SCHEMBL9057642 0.73 ALDH1A1 (0.33) ALDH1A1TP53MAPTMAPK1CHRM2
SCHEMBL9057639 0.73 ALDH1A1 (0.33) ALDH1A1TP53MAPTMAPK1CHRM2
SCHEMBL8463145 0.73 ALDH1A1 (0.36) ALDH1A1TP53MAPTMAPK1CHRM2
Hydrochloric Acid SCHEMBL8323044 0.72 ALDH1A1 (0.33) ALDH1A1TP53MAPTMAPK1CHRM2
Hydrochloric Acid SCHEMBL8323042 0.72 ALDH1A1 (0.33) ALDH1A1TP53MAPTMAPK1CHRM2
Hydrochloric Acid SCHEMBL8464473 0.72 ALDH1A1 (0.33) ALDH1A1TP53MAPTMAPK1CHRM2
SCHEMBL7766882 0.72 ALDH1A1 (0.35) ALDH1A1TP53MAPTMAPK1CHRM2

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-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 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-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA ALDH1A1 683/4885TP53 3799/4885MAPT 1557/4885

“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.