SCHEMBL16006769

SCHEMBL16006769

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1C=C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.43
▸ SOD1 P00441 1/20 0.42
▸ USP2 O75604 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ FDPS P14324 9/20 0.34
▸ BCL9 O00512 3/20 0.34
▸ CTNNB1 P35222 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PNLIP P16233 1/20 0.34

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
SCHEMBL18290211 0.85 SOD1 (0.53) KARS1SOD1USP2CYP3A4MAPT
SCHEMBL18290199 0.85 KARS1 (0.40) KARS1SOD1USP2CYP3A4MAPT
SCHEMBL18290223 0.80 SOD1 (0.34) KARS1SOD1FDPSGGPS1
SCHEMBL18290357 0.80 FDPS (0.46) USP2CYP3A4MAPTKDM4EMEN1
SCHEMBL29934500 0.77 SOD1 (0.52) KARS1SOD1USP2CYP3A4MAPT
SCHEMBL18290220 0.76 SOD1 (0.33) KARS1SOD1
SCHEMBL18290225 0.74 FDPS (0.32) KARS1SOD1FDPS
SCHEMBL18290371 0.73 — —
Ferruginol SCHEMBL13423521 0.69 KARS1 (0.73) KARS1USP2CYP3A4MAPTCYP19A1
Ferruginol SCHEMBL155580 0.69 KARS1 (0.73) KARS1USP2CYP3A4MAPTCYP19A1

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 9 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-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-9809615-B2 Anti-cancer compounds from invasive salvinias and methods of treating cancer STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2017-11-07 — — US disclosed
WO-2016192631-A1 ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME STEPHEN F. AUSTIN STATE UNIVERSITY 2016-01-07 — — 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
WO-2014133811-A2 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME STEPHEN F. AUSTIN UNIVERSITY (US) 2014-09-04 — — WO 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 2517/4885USP2 3495/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KARS1 2969/4885SOD1 2517/4885USP2 3495/4885
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KARS1 2969/4885SOD1 2517/4885USP2 3495/4885

“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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