SCHEMBL6050146

SCHEMBL6050146

COc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(C=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 2/20 0.42
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 0.40
CYP2J2 P51589 1/20 0.40
CYP4F2 P78329 1/20 0.40

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
SCHEMBL6050365 0.92 CYP1A2 (0.43) GSTP1ALDH1A1CYP2A6CYP3A4CYP1A2
SCHEMBL7188354 0.91 RELA (0.42) GSTP1ALDH1A1CYP2A6CYP3A4CYP1A2
SCHEMBL1359561 0.91 ESR1 (0.47) GSTP1ALDH1A1CYP2A6CYP3A4CYP1A2
SCHEMBL7189743 0.89 ALDH1A1 (0.49) GSTP1ALDH1A1CYP2A6CYP1A2CYP2D6
SCHEMBL7189972 0.86 MAPT (0.44) GSTP1ALDH1A1CYP2A6CYP1A2CYP1A1
SCHEMBL7189216 0.85 ESR1 (0.55) ESR1ESR2
SCHEMBL7189223 0.85 ESR1 (0.55) ESR1ESR2
SCHEMBL7191254 0.85 ESR1 (0.44) GSTP1ALDH1A1CYP2A6ESR1ESR2
SCHEMBL7182654 0.85 ALOX5 (0.43) GSTP1ALDH1A1CYP2A6ESR1HSD17B10
SCHEMBL6050136 0.84 ESR1 (0.50) GSTP1CYP2A6CYP3A4CYP1A2CYP2D6

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 12 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
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
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 GSTP1 2360/4885ALDH1A1 2018/4885CYP2A6 109/4885
US-20050054632-A1 Naphthyl compounds, intermediates, compositions, and methods of use SQLE, NQO1, CYP3A43 GSTP1 2360/4885ALDH1A1 2018/4885CYP2A6 109/4885

“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.