Rotenone

Rotenone

SCHEMBL20152380

C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@H]2C3=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 1.00
MAPT P10636 8/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
ALDH1A1 P00352 5/20 1.00
KDM4E B2RXH2 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
CYP2C19 P33261 4/20 1.00
LMNA P02545 4/20 1.00
MAPK1 P28482 4/20 1.00
TP53 P04637 4/20 1.00
USP2 O75604 4/20 1.00
TSHR P16473 3/20 1.00
MT-ND4 P03905 3/20 1.00
CYP2C9 P11712 2/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
CYP1A2 P05177 2/20 1.00
HPGD P15428 2/20 1.00
GMNN O75496 1/20 1.00
ABCB11 O95342 1/20 1.00

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
Rotenone SCHEMBL29388856 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13845713 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL9815546 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13926662 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL42253 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29351552 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL19019920 1.00 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL5490007 0.99 CYP3A4 (0.98) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL7142434 0.97 CYP3A4 (0.95) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL8386940 0.96 CYP3A4 (0.93) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E

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-11001891-B2 Methods for treating Parkinson's disease BERG LLC (US) 2021-05-11 US disclosed
US-20180135129-A1 METHODS FOR TREATING PARKINSON'S DISEASE BERG, KARA ANN 2018-05-17 US disclosed
US-20180135129-A1 METHODS FOR TREATING PARKINSON'S DISEASE BERG, KARA ANN 2018-05-17 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-11001891-B2 Methods for treating Parkinson's disease SNCA, GBA3, LRRK2 CYP3A4 4795/4885MAPT 543/4885SMN1; SMN2 720/4885
US-20180135129-A1 METHODS FOR TREATING PARKINSON'S DISEASE SNCA, GBA3, LRRK2 CYP3A4 4795/4885MAPT 543/4885SMN1; SMN2 720/4885

“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.