SCHEMBL22169130

SCHEMBL22169130

CCOC(=O)CC(=O)CC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22169204 0.95 LMNA (0.46) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL1961403 0.87 POLB (0.46) LMNAPOLBALDH1A1HPGDCYP1A2
SCHEMBL29878165 0.86 POLB (0.45) LMNAPOLBALDH1A1HPGDMEN1
SCHEMBL4994207 0.85 LMNA (0.43) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL4960956 0.83 LMNA (0.58) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL1585076 0.82 LMNA (0.51) LMNAPOLBALDH1A1HPGDCYP1A2
SCHEMBL6081360 0.81 LMNA (0.48) LMNAPOLBALDH1A1MGAMGAA
SCHEMBL30736234 0.79 HPGD (0.42) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL18269643 0.78 LMNA (0.51) LMNAPOLBALDH1A1
SCHEMBL18269652 0.78 LMNA (0.51) LMNAPOLBALDH1A1

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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A LMNA 3527/4885POLB 1103/4885ALDH1A1 417/4885

“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.