SCHEMBL3884177

SCHEMBL3884177

CCOC(Cc1cccc(OCc2ccccc2)c1)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.43
▸ BCHE P06276 9/20 0.43
▸ MAOB P27338 3/20 0.43
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ LTB4R Q15722 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ LIPC P11150 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 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
SCHEMBL3884175 0.78 MAOB (0.44) BCHEMAOBCYP4F2CYP4A11MME
SCHEMBL3886612 0.73 BCHE (0.49) BCHEMAOBCYP4F2CYP4A11
SCHEMBL13434095 0.71 MAOB (0.73) BCHEMAOBCYP4F2CYP4A11LTB4R
SCHEMBL25922339 0.71 SIGMAR1 (0.47) FFAR1BCHEMAOB
SCHEMBL14021492 0.71 CYP4F2 (0.47) FFAR1BCHEMAOBCYP4F2CYP4A11
SCHEMBL704303 0.70 MAOB (0.51) BCHEMAOBCYP4F2CYP4A11
SCHEMBL14021848 0.70 CYP4F2 (0.52) FFAR1BCHEMAOBCYP4F2CYP4A11
SCHEMBL321092 0.70 MAOB (0.62) BCHEMAOBCYP4F2CYP4A11MME
SCHEMBL24645961 0.69 MAOB (0.57) BCHEMAOBCYP4F2CYP4A11MME
SCHEMBL24646119 0.69 MAOB (0.57) BCHEMAOBCYP4F2CYP4A11MME

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
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO claimed
EP-1511483-A4 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 — — EP disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 — — US disclosed
US-20060020036-A1 Methods and compositions to promote bone homestasis GALAPAGOS N.V. (BE) 2006-01-26 — — US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP disclosed
US-20050171084-A1 Methods of treatment with lxr modulators SMITHKLINE BEECHAM CORPORATION 2005-08-04 — — US disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US disclosed
EP-1511483-A2 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-09 — — EP disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO disclosed
WO-2003082198-A2 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA FFAR1 28/4885BCHE 2160/4885MAOB 3322/4885
US-20050171084-A1 Methods of treatment with lxr modulators NR1H2, NR1H3, NR1H4 FFAR1 149/4885BCHE 2442/4885MAOB 3738/4885

“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.

Send feedback