SCHEMBL9831322

SCHEMBL9831322

CC(C)C(NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.57
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
CCR1 P32246 1/20 0.46
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7899963 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL9829571 0.98 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL7890180 0.98 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL23441779 0.96 TP53 (0.57) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL25044588 0.92 TP53 (0.65) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL1951920 0.92 TP53 (0.65) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL7898085 0.92 TSHR (0.56) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL9831740 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL9831734 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL6139318 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives XWPharma Ltd. (KY) 2023-07-04 US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP 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-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 SMN1; SMN2 2497/4885ALDH1A1 462/4885TP53 2938/4885

“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.