SCHEMBL16006738

SCHEMBL16006738

COc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.36
▸ GGPS1 O95749 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LPAR1 Q92633 3/20 0.32
▸ SOD1 P00441 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL3186292 0.86 SOD1 (0.43) FDPSGGPS1MEN1KMT2ASOD1
SCHEMBL19915628 0.80 ALDH1A1 (0.36) FDPSGGPS1ALDH1A1MEN1KMT2A
14-Deoxycoleon U SCHEMBL17403056 0.77 FDPS (0.43) FDPSGGPS1ALDH1A1MEN1KMT2A
SCHEMBL18290301 0.73 SOD1 (0.47) FDPSGGPS1SOD1MAPTIDO1
SCHEMBL18290239 0.73 SOD1 (0.47) FDPSGGPS1SOD1MAPTIDO1
SCHEMBL18290356 0.68 SOD1 (0.38) SOD1MAPTIDO1
SCHEMBL19915508 0.68 SOD1 (0.42) FDPSGGPS1SOD1MAPT
SCHEMBL12715260 0.67 RXRA (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL16499589 0.66 SOD1 (0.43) FDPSGGPS1ALDH1A1MEN1KMT2A
SCHEMBL17403057 0.64 CACNA1G (0.44) FDPSGGPS1MEN1KMT2ASOD1

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 8 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
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 FDPS 995/4885GGPS1 749/4885ALDH1A1 955/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 FDPS 995/4885GGPS1 749/4885ALDH1A1 955/4885
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 FDPS 995/4885GGPS1 749/4885ALDH1A1 955/4885

“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.

Send feedback