SCHEMBL6050101

SCHEMBL6050101

COc1cccc(-c2ccc3cc(OC)ccc3c2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2A6 P11509 2/20 0.49
CYP3A4 P08684 2/20 0.49
GSTP1 P09211 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP4B1 P13584 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP3A5 P20815 1/20 0.49
CYP2A7 P20853 1/20 0.49
CYP3A7 P24462 1/20 0.49
CYP2F1 P24903 1/20 0.49
CYP2C18 P33260 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2J2 P51589 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4F8 P98187 1/20 0.49

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
SCHEMBL1358534 0.89 TUBB4A (0.46) CYP1A2CYP2A6CYP3A4GSTP1CYP1A1
SCHEMBL312278 0.88 KMT2A (0.56) CYP1A2CYP2A6CYP3A4CYP1A1CYP2E1
SCHEMBL6088276 0.86 SMN1; SMN2 (0.49) CYP1A2CYP2A6CYP3A4GSTP1CYP2D6
SCHEMBL7989015 0.85 TUBB4A (0.52) CYP1A2CYP2A6CYP3A4GSTP1TUBB4A
SCHEMBL4600498 0.82 CYP1A2 (0.49) CYP1A2CYP2A6CYP3A4GSTP1CYP1A1
SCHEMBL6050136 0.81 ESR1 (0.50) CYP1A2CYP2A6CYP3A4GSTP1CYP1A1
SCHEMBL12459745 0.80 HDAC4 (0.56) CYP1A2CYP2A6CYP3A4CYP1A1CYP2E1
SCHEMBL3162945 0.79 ACLY (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3119421 0.78 CYP1A1 (0.43) CYP1A2GSTP1CYP1A1CYP1B1HDAC4
SCHEMBL6087620 0.78 ERN1 (0.43) GSTP1GPR84HDAC4HDAC8TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105541-B2 Naphthyl compounds, intermediates, compositions, and methods of use ELI LILLY AND COMPANY (US) 2006-09-12 US disclosed
US-20050054632-A1 Naphthyl compounds, intermediates, compositions, and methods of use BRYANT HENRY UHLMAN (US) 2005-03-10 US disclosed
US-6812244-B2 POSTMENOPAUSAL OSTEOPOROSIS ELI LILLY AND COMPANY 2004-11-02 US disclosed
US-20040072820-A1 Naphthyl compounds, intermediates, compositions, and methods of use BRYANT HENRY UHLMAN (US) 2004-04-15 US disclosed
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-6593345-B1 Inhibiting bone loss or bone resorption comprising administering to a patient in need thereof an effective amount of a compound of claim 1, or a pharmaceutically acceptable salt or solvate, and anticholesterol agents ELI LILLY AND COMPANY 2003-07-15 US disclosed
EP-0826679-B1 Naphthyl compounds and compositions LILLY CO ELI (US) 2001-11-21 EP disclosed
EP-1142862-A2 Naphthyl and tetralone derivatives as intermediates ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
EP-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed
WO-1998008797-A1 NAPHTHYL COMPOUNDS, INTERMEDIATES, COMPOSITIONS, AND METHODS OF USE ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0826679-A2 Naphthyl compounds, intermediates, compositions, and method of use ELI LILLY AND COMPANY (US) 1998-03-04 EP 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-20040072820-A1 Naphthyl compounds, intermediates, compositions, and methods of use SQLE, NQO1, CYP3A43 CYP1A2 34/4885CYP2A6 109/4885CYP3A4 9/4885
US-20050054632-A1 Naphthyl compounds, intermediates, compositions, and methods of use SQLE, NQO1, CYP3A43 CYP1A2 34/4885CYP2A6 109/4885CYP3A4 9/4885

“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.