SCHEMBL17403057

SCHEMBL17403057

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.44
▸ SOD1 P00441 1/20 0.43
▸ KARS1 Q15046 1/20 0.38
▸ FDPS P14324 5/20 0.34
▸ GGPS1 O95749 3/20 0.34
▸ USP7 Q93009 2/20 0.33
▸ HIF1A Q16665 4/20 0.32
▸ EPAS1 Q99814 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 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
▸ ACHE P22303 1/20 0.32

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
SCHEMBL18290213 0.87 SOD1 (0.41) CACNA1GSOD1KARS1FDPSGGPS1
SCHEMBL17403058 0.83 CACNA1G (0.42) CACNA1GFDPSGGPS1USP7HIF1A
Salvinolone SCHEMBL29931087 0.80 FDPS (0.45) CACNA1GFDPSGGPS1TP53CYP3A4
SCHEMBL18290354 0.80 SOD1 (0.41) SOD1KARS1FDPSGGPS1HIF1A
SCHEMBL18290235 0.78 SOD1 (0.38) SOD1KARS1
SCHEMBL3186292 0.78 SOD1 (0.43) SOD1KARS1FDPSGGPS1USP7
SCHEMBL18290234 0.76 SOD1 (0.36) SOD1
SCHEMBL18290239 0.71 SOD1 (0.47) SOD1KARS1FDPSGGPS1USP7
SCHEMBL18290301 0.71 SOD1 (0.47) SOD1KARS1FDPSGGPS1USP7
SCHEMBL19915508 0.71 SOD1 (0.42) SOD1KARS1FDPSGGPS1USP7

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 7 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
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

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 CACNA1G 4070/4885SOD1 2517/4885KARS1 2969/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 CACNA1G 4070/4885SOD1 2517/4885KARS1 2969/4885
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 CACNA1G 4070/4885SOD1 2517/4885KARS1 2969/4885

“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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