SCHEMBL25540993

SCHEMBL25540993

COC(=O)CC1(C)CC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 5/20 0.37
HSD17B10 Q99714 3/20 0.34
GAA P10253 3/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 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
SCHEMBL598045 0.78
SCHEMBL28424431 0.77 ALDH1A1 (0.40) TP53HSD17B10LMNAMAPTKMT2A
SCHEMBL13600006 0.76 TP53 (0.43) TP53TSHRHSD17B10GAALMNA
SCHEMBL1480103 0.74 TSHR (0.40) TP53TSHRHSD17B10GAAMGAM
SCHEMBL14865375 0.74 TSHR (0.40) TP53TSHRHSD17B10GAAMGAM
SCHEMBL13500592 0.72 CYP3A4 (0.41) TP53TSHRHSD17B10GAAMGAM
SCHEMBL1966339 0.72 EPHX1 (0.44) TP53TSHRHSD17B10GAAMGAM
SCHEMBL2151668 0.72 CYP3A4 (0.41) TP53TSHRHSD17B10GAAMGAM
SCHEMBL14865424 0.72 TSHR (0.39) TP53TSHRHSD17B10GAAMGAM
SCHEMBL19747238 0.72 TSHR (0.39) TP53TSHRHSD17B10GAAMGAM

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-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 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-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 TP53 2405/4885TSHR 1834/4885HSD17B10 1147/4885

“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.