SCHEMBL17388698

SCHEMBL17388698

CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.48
▸ SOD1 P00441 1/20 0.42
▸ POLA1 P09884 2/20 0.39
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FDPS P14324 4/20 0.34
▸ PTGES O14684 2/20 0.34
▸ PNLIP P16233 2/20 0.34
▸ GGPS1 O95749 1/20 0.33
▸ BCL9 O00512 3/20 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
SCHEMBL18290299 1.00 KARS1 (0.48) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL16006712 1.00 KARS1 (0.48) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL18290217 0.84 KARS1 (0.47) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL18290297 0.84 KARS1 (0.47) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL18290305 0.84 KARS1 (0.47) KARS1SOD1POLA1MEN1KMT2A
SCHEMBL18290304 0.73 KARS1 (0.42) KARS1SOD1POLA1CYP3A4MAPT
Rosmadial SCHEMBL13294494 0.70 FDPS (0.60) MEN1KMT2ACYP3A4MAPTUSP2
Hypargenin C SCHEMBL18290364 0.68 SOD1 (0.55) KARS1SOD1MEN1KMT2ACYP3A4
Hypargenin C SCHEMBL31083234 0.68 SOD1 (0.55) KARS1SOD1MEN1KMT2ACYP3A4
Sugiol SCHEMBL17407685 0.68 SOD1 (0.58) KARS1SOD1MEN1KMT2ACYP3A4

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-10464963-B2 Compounds from invasive Salvinias and methods of using the same STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2019-11-05 — — US disclosed
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME STEPHEN F. AUSTIN STATE UNIVERSITY 2018-03-01 — — US disclosed
US-9809615-B2 Anti-cancer compounds from invasive salvinias and methods of treating cancer STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2017-11-07 — — US disclosed
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME STEPHEN F. AUSTIN STATE UNIVERSITY 2016-01-07 — — 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 (3 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-10464963-B2 Compounds from invasive Salvinias and methods of using the same MMP8, GUSB, MMP9 KARS1 2969/4885SOD1 2517/4885POLA1 3114/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KARS1 2969/4885SOD1 2517/4885POLA1 3114/4885
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KARS1 2969/4885SOD1 2517/4885POLA1 3114/4885

“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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