Ferruginol

Ferruginol

SCHEMBL5315022

CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.73
▸ CYP19A1 P11511 1/20 0.59
▸ USP2 O75604 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ FDPS P14324 7/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ BCL9 O00512 3/20 0.52
▸ CTNNB1 P35222 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ PTGES O14684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
Ferruginol SCHEMBL155580 1.00 KARS1 (0.73) KARS1CYP19A1USP2CYP3A4MAPT
Ferruginol SCHEMBL13423521 1.00 KARS1 (0.73) KARS1CYP19A1USP2CYP3A4MAPT
Sempervirol SCHEMBL10524413 0.95 KARS1 (0.66) KARS1CYP19A1USP2CYP3A4MAPT
Sempervirol SCHEMBL10524412 0.95 KARS1 (0.66) KARS1CYP19A1USP2CYP3A4MAPT
Sempervirol SCHEMBL29495146 0.95 KARS1 (0.66) KARS1CYP19A1USP2CYP3A4MAPT
SCHEMBL18290298 0.88 KARS1 (0.58) KARS1CYP19A1USP2CYP3A4MAPT
18-Hydroxyferruginol SCHEMBL32666150 0.85 KARS1 (0.67) KARS1USP2CYP3A4MAPTMEN1
18-Hydroxyferruginol SCHEMBL18290210 0.85 KARS1 (0.67) KARS1USP2CYP3A4MAPTMEN1
SCHEMBL21444399 0.85 KARS1 (0.57) KARS1CYP19A1USP2CYP3A4MAPT
Lambertic Acid SCHEMBL31674429 0.84 NR1I2 (0.74) KARS1CYP3A4NR1I2OPRK1BCL9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1311018-A — — None — — JP disclosed
US-20130150456-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD MITSUBISHI-KAGAKU FOODS CORPORATION (JP) 2013-06-13 — — US disclosed
US-20130150456-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD MITSUBISHI-KAGAKU FOODS CORPORATION (JP) 2013-06-13 — — US disclosed
US-20110151034-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD MITSUBISHI CHEMICAL CORPORATION (JP) 2011-06-23 — — US disclosed
US-20110151034-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD MITSUBISHI CHEMICAL CORPORATION (JP) 2011-06-23 — — US disclosed
EP-2316267-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD Mitsubishi Chemical Corporation (JP) 2011-05-04 — — EP disclosed
WO-2007038875-A1 CCR5 RECEPTOR ANTAGONIST MOLECULES AVANCE PHARMA INC. (CA) 2007-04-12 — — WO disclosed
WO-2007038875-A1 CCR5 RECEPTOR ANTAGONIST MOLECULES AVANCE PHARMA INC. (CA) 2007-04-12 — — WO disclosed
JP-H01311018-A ANTIBACTERIAL AGENT FOR GRAM-POSITIVE ANAEROBIC BACTERIUM, EXTERNAL PREPARATION OF SKIN AND COMPOSITION FOR ORAL CAVITY USING THE SAME AGENT SHISEIDO CO LTD 1989-12-15 — — JP 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-20110151034-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD LCT, DNASE1, LPO KARS1 1810/4885CYP19A1 3213/4885USP2 1872/4885
US-20130150456-A1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD LCT, DNASE1, LPO KARS1 1810/4885CYP19A1 3213/4885USP2 1872/4885

“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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