SCHEMBL22010974

SCHEMBL22010974

CC[C@@]12CC[C@@]3(C)C4=CC(=O)C(O)=C(C)C4=CC=C3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)NC(CO)CO)C[C@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.68
NR4A1 P22736 7/20 0.65
PRDX1 Q06830 4/20 0.63
PTPN1 P18031 1/20 0.60
CASP1 P29466 1/20 0.60
ABHD6 Q9BV23 1/20 0.60
KDM4E B2RXH2 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
ALOX12 P18054 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSP90AA1 P07900 1/20 0.59
CCR6 P51684 1/20 0.59
PAX8 Q06710 1/20 0.59
TLR9 Q9NR96 1/20 0.59

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
SCHEMBL18781851 0.90 TERT (0.81) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL22011634 0.90 NR4A1 (0.79) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL23490905 0.90 NR4A1 (0.70) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL20371742 0.89 NR4A1 (0.82) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL23490780 0.88 TERT (0.81) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL26205042 0.88 TERT (0.83) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL21529185 0.87 NR4A1 (0.78) TERTNR4A1PTPN1CASP1ABHD6
SCHEMBL22010874 0.87 HSP90AA1 (0.77) TERTNR4A1PTPN1CASP1ABHD6
SCHEMBL18781803 0.86 TERT (0.78) TERTNR4A1PRDX1PTPN1CASP1
SCHEMBL22010612 0.86 NR4A1 (0.67) TERTNR4A1PTPN1CASP1ABHD6

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-10662218-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION 2020-05-26 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-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP TERT 3225/4885NR4A1 1945/4885PRDX1 4176/4885

“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.