SCHEMBL22010596

SCHEMBL22010596

CCOC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(CC)[C@@H]2C1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRDX1 Q06830 16/20 0.67
NR4A1 P22736 2/20 0.62
TERT O14746 1/20 0.62
PTPN1 P18031 1/20 0.57
CASP1 P29466 1/20 0.57
ABHD6 Q9BV23 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL22010877 0.91 PRDX1 (0.63) PRDX1NR4A1TERTPTPN1CASP1
SCHEMBL18781890 0.90 PRDX1 (0.80) PRDX1NR4A1TERTPTPN1CASP1
SCHEMBL22010609 0.89 PRDX1 (0.68) PRDX1NR4A1
SCHEMBL22011631 0.87 PRDX1 (0.57) PRDX1NR4A1TERTPTPN1CASP1
SCHEMBL22011087 0.87 NR4A1 (0.81) PRDX1NR4A1TERTPTPN1CASP1
SCHEMBL21529185 0.85 NR4A1 (0.78) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL22010874 0.83 HSP90AA1 (0.77) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL23490905 0.83 NR4A1 (0.70) PRDX1NR4A1TERTPTPN1CASP1
SCHEMBL22010584 0.83 TERT (0.79) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL22011634 0.83 NR4A1 (0.79) PRDX1NR4A1TERTPTPN1CASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
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 (2 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 PRDX1 4176/4885NR4A1 1945/4885TERT 3225/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP PRDX1 4176/4885NR4A1 1945/4885TERT 3225/4885

“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.