SCHEMBL3186292

SCHEMBL3186292

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.43
▸ KARS1 Q15046 1/20 0.38
▸ FDPS P14324 5/20 0.34
▸ GGPS1 O95749 2/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ HIF1A Q16665 4/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ EPAS1 Q99814 3/20 0.31
▸ PTGES O14684 1/20 0.31
▸ PNLIP P16233 1/20 0.31

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
SCHEMBL16006738 0.86 FDPS (0.36) SOD1FDPSGGPS1IDO1MAPT
SCHEMBL18290301 0.86 SOD1 (0.47) SOD1KARS1FDPSGGPS1IDO1
SCHEMBL18290239 0.86 SOD1 (0.47) SOD1KARS1FDPSGGPS1IDO1
SCHEMBL18290356 0.81 SOD1 (0.38) SOD1KARS1IDO1HIF1ACYP1A2
14-Deoxycoleon U SCHEMBL17403056 0.81 FDPS (0.43) SOD1FDPSGGPS1CYP3A4TP53
SCHEMBL19915508 0.81 SOD1 (0.42) SOD1KARS1FDPSGGPS1HIF1A
SCHEMBL17403057 0.78 CACNA1G (0.44) SOD1KARS1FDPSGGPS1HIF1A
SCHEMBL18290304 0.70 KARS1 (0.42) SOD1KARS1HIF1ACYP1A2CYP2D6
SCHEMBL18290213 0.70 SOD1 (0.41) SOD1KARS1FDPSGGPS1HIF1A
Hypargenin C SCHEMBL18290364 0.69 SOD1 (0.55) SOD1KARS1FDPSGGPS1CYP3A4

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 14 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
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-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
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 (4 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 SOD1 2517/4885KARS1 2969/4885FDPS 995/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 SOD1 2517/4885KARS1 2969/4885FDPS 995/4885
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
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 SOD1 2517/4885KARS1 2969/4885FDPS 995/4885

“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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