SCHEMBL6050076

SCHEMBL6050076

COc1cccc(CCC(C(=O)O)c2cccc(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
TAAR1 Q96RJ0 1/20 0.49
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
CYP1A2 P05177 1/20 0.48
AKR1C1 Q04828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL13100656 0.94 MTNR1A (0.49) MTNR1AMTNR1BTAAR1CYP1A2L3MBTL1
SCHEMBL6667447 0.90 AKR1C3 (0.50) MTNR1AMTNR1BTAAR1AKR1C3AKR1C2
SCHEMBL10596068 0.87 AKR1C3 (0.49) MTNR1AMTNR1BTAAR1AKR1C3AKR1C2
SCHEMBL5077290 0.86 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL6699024 0.85 MTNR1A (0.44) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL28188563 0.84 AKR1C3 (0.55) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL28269690 0.83 MTNR1A (0.51) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL28269689 0.83 MTNR1A (0.51) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL7041441 0.83 MTNR1A (0.61) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL11820853 0.83 ABCB1 (0.51) MTNR1AMTNR1BAKR1C3

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 14 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
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
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
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 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 MTNR1A 934/4885MTNR1B 796/4885TAAR1 3862/4885
US-20050054632-A1 Naphthyl compounds, intermediates, compositions, and methods of use SQLE, NQO1, CYP3A43 MTNR1A 934/4885MTNR1B 796/4885TAAR1 3862/4885

“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.