SCHEMBL19915628

SCHEMBL19915628

COc1cc2c(cc1C(C)C)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ LPAR1 Q92633 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ GGPS1 O95749 1/20 0.30
▸ FDPS P14324 1/20 0.30

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
SCHEMBL19915508 0.84 SOD1 (0.42) MAPTGGPS1FDPS
SCHEMBL16006738 0.80 FDPS (0.36) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL17403058 0.72 CACNA1G (0.42) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL16499589 0.66 SOD1 (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL3186292 0.64 SOD1 (0.43) MEN1KMT2AMAPTGGPS1FDPS
SCHEMBL12715260 0.64 RXRA (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL18290239 0.61 SOD1 (0.47) MAPTGGPS1FDPS
SCHEMBL18290203 0.59 CACNA1G (0.32) —
SCHEMBL17861334 0.59 HSD17B1 (0.47) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2953510 0.58 GAA (0.59) ALDH1A1MEN1KMT2AMAPTTSHR

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 955/4885MEN1 1504/4885KMT2A 2424/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 ALDH1A1 955/4885MEN1 1504/4885KMT2A 2424/4885

“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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