SCHEMBL12378901

SCHEMBL12378901

CCOC(=O)CC(=O)c1cc(C)c(C)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
KDM4E B2RXH2 1/20 0.73
RXFP1 Q9HBX9 1/20 0.46
HSD17B2 P37059 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
FASN P49327 1/20 0.41
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL12417592 0.87 ALDH1A1 (0.86) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL4865137 0.84 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10568457 0.82 MEN1 (0.64) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL12378894 0.82 MEN1 (0.68) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL2848397 0.80 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL31314527 0.80 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL7120174 0.78 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL25966580 0.78 HSD17B2 (0.68) ALDH1A1MEN1KMT2AKDM4EHSD17B2
SCHEMBL1528398 0.78 KMT2A (0.67) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL11336062 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2AKDM4ERXFP1

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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 ALDH1A1 3621/4885MEN1 535/4885KMT2A 4673/4885

“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.