SCHEMBL3187007

SCHEMBL3187007

CCOP(=O)(COc1ccc(C=O)cc1)OCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
CYP2A6 P11509 1/20 0.44
ALDH1A3 P47895 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.39
RELA Q04206 1/20 0.39
ALDH3A1 P30838 1/20 0.38
NQO1 P15559 1/20 0.38

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
SCHEMBL8759620 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8635512 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL14009819 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL6053843 0.81 TSHR (0.44) KMT2AMEN1KDM4ENQO1
SCHEMBL4172466 0.79 KMT2A (0.40) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9055584 0.79 CYP2C9 (0.55) MAPT
SCHEMBL8759510 0.79 ALDH1A3 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL342467 0.78 NQO1 (0.64) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4386273 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL13538696 0.77 RAB9A (0.43) ALDH1A1KMT2AMEN1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 US disclosed
EP-1620109-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
US-20050261253-A1 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. 2005-11-24 US disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096234-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
EP-0652884-B1 PHOSPHONATED ARYLETHANOLAMINE COMPOUNDS WITH ANTI-HYPERGLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-05-28 EP disclosed
US-5519006-A Phosphonated arylethanolamine compounds with anti-hyperglycemic and/or anti-obesity activity SMITHKLINE BEECHAM PLC (GB) 1996-05-21 US disclosed
EP-0652884-A1 PHOSPHONATED ARYLETHANOLAMINE COMPOUNDS WITH ANTI-HYPERGLYCEMIC AND/OR ANTI-OBESITY ACTIVITY. SMITHKLINE BEECHAM PLC (GB) 1995-05-17 EP disclosed
WO-1994002493-A1 PHOSPHONATED ARYLETHANOLAMINE COMPOUNDS WITH ANTI-HYPERGLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-02-03 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-20050261253-A1 Kinase inhibitory phosphonate analogs PIK3CA, PNKP, PIK3CB ALDH1A1 4596/4885SMN1; SMN2 4005/4885LMNA 2617/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN ALDH1A1 3678/4885SMN1; SMN2 3947/4885LMNA 2680/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB ALDH1A1 4596/4885SMN1; SMN2 4005/4885LMNA 2617/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN ALDH1A1 3678/4885SMN1; SMN2 3947/4885LMNA 2680/4885

“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.