SCHEMBL22010853

SCHEMBL22010853

CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OCc6ccccc6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.80
HSP90AB1 P08238 5/20 0.80
CDC37 Q16543 5/20 0.80
NR4A1 P22736 5/20 0.75
TERT O14746 1/20 0.75
PRDX1 Q06830 1/20 0.64
PTPN1 P18031 1/20 0.63
CASP1 P29466 1/20 0.63
ABHD6 Q9BV23 1/20 0.63
KDM4E B2RXH2 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL22011612 0.96 CASP3 (0.86) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL22011610 0.93 NR4A1 (0.81) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL17130183 0.92 CASP3 (0.74) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL18782341 0.92 CASP3 (0.71) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL17124753 0.92 CASP3 (0.73) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL18782359 0.90 CASP3 (0.72) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL12395121 0.89 HSP90AB1 (1.00) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL17124741 0.88 NR4A1 (0.86) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL18782109 0.88 NR4A1 (0.68) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL22011080 0.88 CASP3 (0.68) CASP3HSP90AB1CDC37NR4A1TERT

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 3 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-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 CASP3 247/4885HSP90AB1 191/4885CDC37 310/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP CASP3 247/4885HSP90AB1 191/4885CDC37 310/4885

“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.