SCHEMBL727449

SCHEMBL727449

O=C(O)C1CCCCC12OCCO2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 4/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4978998 0.94 SLC1A2 (0.32) SLC1A2SLC1A1LMNATSHR
SCHEMBL1616452 0.82 MAPT (0.31) GAA
SCHEMBL1616226 0.79 GLI1 (0.33)
SCHEMBL9610 0.78 ATM (0.33) ALDH1A1LMNATSHR
SCHEMBL1617311 0.77 HPGD (0.43) ALDH1A1LMNATSHRKMT2A
SCHEMBL5025712 0.74 HSD11B1 (0.31) HSD11B1SLC1A2SLC1A1LMNATSHR
SCHEMBL1616601 0.74 MAPT (0.50) ALDH1A1LMNATSHR
SCHEMBL6221348 0.74 POLB (0.31) GAA
SCHEMBL727442 0.74 ALDH1A1 (0.40) ALDH1A1LMNAKMT2A
SCHEMBL20303774 0.72

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 WO disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO disclosed
WO-2002028183-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2002-04-11 WO disclosed
US-5527805-A DNA-CLEAVING, CYTOTOXIC AND ANTI-TUMOR COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 1996-06-18 US disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 US disclosed
US-5276159-A Antitumor THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-04 US 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 HSD11B1 1331/4885ALDH1A1 420/4885SLC1A2 2882/4885
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 HSD11B1 266/4885ALDH1A1 3574/4885SLC1A2 1436/4885
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD HSD11B1 2394/4885ALDH1A1 1163/4885SLC1A2 1398/4885
US-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB HSD11B1 1492/4885ALDH1A1 4674/4885SLC1A2 3388/4885

“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.