SCHEMBL13532266

SCHEMBL13532266

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1OC2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.52
▸ KARS1 Q15046 1/20 0.43
▸ FDPS P14324 7/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ PNLIP P16233 1/20 0.39
▸ GGPS1 O95749 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL18290200 0.79 SOD1 (0.76) SOD1KARS1FDPSMEN1KMT2A
Sugiol SCHEMBL17407685 0.77 SOD1 (0.58) SOD1KARS1FDPSMEN1KMT2A
Hypargenin C SCHEMBL18290364 0.77 SOD1 (0.55) SOD1KARS1FDPSMEN1KMT2A
Hypargenin C SCHEMBL31083234 0.77 SOD1 (0.55) SOD1KARS1FDPSMEN1KMT2A
Sugiol SCHEMBL28605319 0.77 SOD1 (0.58) SOD1KARS1FDPSMEN1KMT2A
Hypargenin C SCHEMBL13532268 0.77 SOD1 (0.55) SOD1KARS1FDPSMEN1KMT2A
Sugiol SCHEMBL1086916 0.77 SOD1 (0.58) SOD1KARS1FDPSMEN1KMT2A
SCHEMBL29934500 0.74 SOD1 (0.52) SOD1KARS1FDPSMEN1KMT2A
SCHEMBL18290243 0.70 SOD1 (0.45) SOD1KARS1FDPSMEN1KMT2A
SCHEMBL18290291 0.70 KARS1 (0.47) SOD1KARS1FDPSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519007-B2 Use certain diterpene compounds in the treatment of androgen receptor-associated diseases ACADEMIA SINICA (TW) 2013-08-27 — — US disclosed
US-8519007-B2 Use certain diterpene compounds in the treatment of androgen receptor-associated diseases ACADEMIA SINICA (TW) 2013-08-27 — — US disclosed
US-20100022632-A1 USE CERTAIN DITERPENE COMPOUNDS IN THE TREATMENT OF ANDROGEN RECEPTOR-ASSOCIATED DISEASES ACADEMIA SINICA (TW) 2010-01-28 — — US disclosed
US-20100022632-A1 USE CERTAIN DITERPENE COMPOUNDS IN THE TREATMENT OF ANDROGEN RECEPTOR-ASSOCIATED DISEASES ACADEMIA SINICA (TW) 2010-01-28 — — 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-20100022632-A1 USE CERTAIN DITERPENE COMPOUNDS IN THE TREATMENT OF ANDROGEN RECEPTOR-ASSOCIATED DISEASES AR, CYP17A1, CYP19A1 SOD1 4841/4885KARS1 3258/4885FDPS 178/4885

“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.

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