Nimbolide

Nimbolide

SCHEMBL26690496

COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)C23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RNF114 Q9Y508 3/20 1.00
▸ HSP90AA1 P07900 1/20 0.54
▸ BRD4 O60885 1/20 0.46
▸ CYP3A4 P08684 13/20 0.38
▸ USP2 O75604 6/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ SLCO1B3 Q9NPD5 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
Nimbolide SCHEMBL26312156 1.00 RNF114 (1.00) RNF114HSP90AA1BRD4CYP3A4USP2
Nimbolide SCHEMBL23483973 1.00 RNF114 (1.00) RNF114HSP90AA1BRD4CYP3A4USP2
Nimbolide SCHEMBL2146198 1.00 RNF114 (1.00) RNF114HSP90AA1BRD4CYP3A4USP2
Nimbolide SCHEMBL21163877 1.00 RNF114 (1.00) RNF114HSP90AA1BRD4CYP3A4USP2
SCHEMBL26698833 0.93 RNF114 (0.86) RNF114HSP90AA1BRD4CYP3A4USP2
SCHEMBL24076795 0.92 RNF114 (0.86) RNF114HSP90AA1BRD4CYP3A4USP2
SCHEMBL24625130 0.90 RNF114 (0.82) RNF114HSP90AA1BRD4CYP3A4
SCHEMBL24076672 0.88 RNF114 (0.78) RNF114HSP90AA1BRD4
SCHEMBL24625481 0.88 RNF114 (0.78) RNF114HSP90AA1BRD4
SCHEMBL24076520 0.86 RNF114 (0.76) RNF114HSP90AA1BRD4

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-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 — — US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 — — 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-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 RNF114 1559/4885HSP90AA1 1470/4885BRD4 104/4885

“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.

Send feedback