SCHEMBL6644240

SCHEMBL6644240

COc1cccc(Cc2cccc(C(CC(=O)O)C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
CYP1A2 P05177 1/20 0.49
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1C1 Q04828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.46
CTSA P10619 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
CTBP2 P56545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL1802155 0.89 L3MBTL1 (0.56) FFAR1AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL6645336 0.82 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1L3MBTL1PTGS1
SCHEMBL6050076 0.78 MTNR1A (0.49) CYP1A2AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL10202967 0.78 MTNR1A (0.54) CYP1A2MTNR1AMTNR1BCTBP2MEN1
SCHEMBL7041441 0.78 MTNR1A (0.61) AKR1C3AKR1C2AKR1C1L3MBTL1PTGS1
SCHEMBL31483406 0.76 PTGS1 (0.51) FFAR1L3MBTL1PTGS1CTSAMEN1
SCHEMBL10717750 0.76 MEN1 (0.54) CYP1A2L3MBTL1MEN1KMT2A
SCHEMBL6366469 0.76 GLS (0.54) AKR1C3AKR1C2AKR1C1L3MBTL1PTGS1
SCHEMBL6366464 0.76 GLS (0.54) AKR1C3AKR1C2AKR1C1L3MBTL1PTGS1
SCHEMBL2020322 0.76 AKR1C3 (0.70) AKR1C3AKR1C2AKR1C1L3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146874-B1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2004-09-22 EP disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
EP-0977735-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-26 EP disclosed
US-6495560-B1 10,11-DIHYDRO-3-(2-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)-1 -ETHOXY)-5H-DIBENZO(A,D)CYCLOHEPTENE-10-ACETIC ACID; TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION 2002-12-17 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-1146874-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2002-06-05 EP disclosed
EP-1146874-A1 VITRONECTIN RECEPTOR ANTAGONIST SmithKline Beecham Corporation (US) 2001-10-24 EP disclosed
US-6191304-B1 REDUCTION OF AN ALKYL 3-ALKYLOXY-11-OXO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-10-ACETATE BY HYDROGENOLYSIS USING A PALLADIUM/ACTIVATED CARBON CATALYST; INTERMEDIATES FOR3-((4-AMINOPYRID-2-YL)AMINOALKYLENEOXY) DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-2000033838-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 WO disclosed
US-6069158-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0977735-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-04-05 EP disclosed
EP-0977735-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-09 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998030542-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 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 (1 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL FFAR1 200/4885CYP1A2 3273/4885AKR1C3 1653/4885

“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.