SCHEMBL19958880

SCHEMBL19958880

CC1CC(=O)OC(C)(C)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRBN Q96SW2 1/20 0.31
NR1H4 Q96RI1 2/20 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
SCHEMBL13327624 0.76
SCHEMBL6059815 0.76
SCHEMBL16904971 0.76
SCHEMBL16475536 0.76 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAUSP2MAPT
SCHEMBL12183868 0.72 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7992810 0.71 LMNA (0.40) SMN1; SMN2ALDH1A1LMNATSHRCYP3A4
SCHEMBL24780441 0.68 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1LMNA
SCHEMBL30856748 0.68 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1LMNA
SCHEMBL5763756 0.68 LMNA (0.38) SMN1; SMN2ALDH1A1LMNAUSP2MAPT
SCHEMBL31069713 0.68

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-20180072696-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES NATIONAL SCIENCE FOUNDATION 2018-03-15 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-20180072696-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 SMN1; SMN2 4636/4885ALDH1A1 319/4885LMNA 734/4885

“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.