SCHEMBL2803839

SCHEMBL2803839

COC(=O)C(CC(=O)O)Cc1ccc(OC)cc1CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
KEAP1 Q14145 1/20 0.35
TACR1 P25103 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL2053129 0.92 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL6423170 0.91 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C9KMT2AHSD17B10
SCHEMBL27750685 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL6418597 0.85 EPHX2 (0.35) ALDH1A1CYP1A2CYP2C9HSD17B10TDP1
SCHEMBL2053130 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL11484971 0.81 HSD17B10 (0.52) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL6420476 0.79 HSD17B10 (0.43) ALDH1A1CYP1A2CYP2C9KMT2AHSD17B10
SCHEMBL2784963 0.78 MMP1 (0.42) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL6898652 0.77 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1
SCHEMBL6898655 0.77 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C9HSD17B10MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2329821-B1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GLAXOSMITHKLINE LLC (US) 2012-08-22 EP disclosed
EP-1968594-B1 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA GLAXOSMITHKLINE LLC (US) 2010-09-29 EP disclosed
US-20080293691-A1 Treatment Method SMITHKLINE BEECHAM CORPORATION 2008-11-27 US disclosed
EP-1968594-A2 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007064752-A2 TREATMENT OF OCULAR NEOVASCULAR DISORDERS SUCH AS MACULAR DEGENERATION, ANGIOD STREAKS, UVEITIS AND MACULAR EDEMA SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO disclosed
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 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 (4 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885CYP1A2 2551/4885CYP2C9 3226/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ALDH1A1 2599/4885CYP1A2 4457/4885CYP2C9 4808/4885
US-20080293691-A1 Treatment Method ALDH1A2, KDR, VEGFA ALDH1A1 166/4885CYP1A2 1666/4885CYP2C9 2557/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ALDH1A1 3956/4885CYP1A2 2551/4885CYP2C9 3226/4885

“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.