SCHEMBL17403055

SCHEMBL17403055

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=CCC(O)(C(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.43
▸ CYP19A1 P11511 2/20 0.37
▸ USP2 O75604 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FDPS P14324 8/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PNLIP P16233 1/20 0.35
▸ SOD1 P00441 1/20 0.34
▸ GGPS1 O95749 2/20 0.32
▸ BCL9 O00512 2/20 0.30
▸ CTNNB1 P35222 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL19559008 0.76 KARS1 (0.31) KARS1
SCHEMBL16006731 0.74 CYP19A1 (0.60) KARS1CYP19A1USP2MEN1KMT2A
SCHEMBL16006739 0.73 CYP19A1 (0.31) CYP19A1
Ferruginol SCHEMBL155580 0.69 KARS1 (0.73) KARS1CYP19A1USP2MEN1KMT2A
Ferruginol SCHEMBL13423521 0.69 KARS1 (0.73) KARS1CYP19A1USP2MEN1KMT2A
Ferruginol SCHEMBL5315022 0.69 KARS1 (0.73) KARS1CYP19A1USP2MEN1KMT2A
Sempervirol SCHEMBL10524412 0.66 KARS1 (0.66) KARS1CYP19A1USP2MEN1KMT2A
Sempervirol SCHEMBL29495146 0.66 KARS1 (0.66) KARS1CYP19A1USP2MEN1KMT2A
Sempervirol SCHEMBL10524413 0.66 KARS1 (0.66) KARS1CYP19A1USP2MEN1KMT2A
Sugiol SCHEMBL28605319 0.63 SOD1 (0.58) KARS1CYP19A1USP2MEN1KMT2A

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 KARS1 2969/4885CYP19A1 741/4885USP2 3495/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KARS1 2969/4885CYP19A1 741/4885USP2 3495/4885
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KARS1 2969/4885CYP19A1 741/4885USP2 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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