Sugi Predict

Sugi Predict / Compounds / SCHEMBL911041

SCHEMBL911041

SCHEMBL911041

O=[C]CCc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.54
▸ HSPA5 P11021 1/20 0.50
▸ HTR1A P08908 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ MPO P05164 3/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ IDO1 P14902 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ TYR P14679 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL3239779 0.88 MPO (0.50) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL2162646 0.78 TAAR1 (0.54) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL1222973 0.78 TAAR1 (0.71) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL29706272 0.78 TAAR1 (0.71) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL361669 0.77 HSPA5 (0.54) TAAR1HSPA5HTR1AAKR1B1MPO
Formaldehyde SCHEMBL28980606 0.77 TAAR1 (0.62) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL29706378 0.76 TAAR1 (0.68) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL910690 0.76 GABRA1 (0.47) HTR1ACYP2D6MGLL
SCHEMBL3571928 0.76 TAAR1 (0.56) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL1529036 0.75 TYR (0.65) TSHRTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 — — US claimed
EP-1711523-A4 ANALOGUES OF GLP-1 SOD CONSEILS RECH APPLIC (FR) 2008-05-21 — — EP claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 — — US claimed
US-20070042952-A1 Analogues of glp-1 IPSEN PHARMA S.A.S. (FR) 2007-02-22 — — US claimed
EP-1711523-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2006-10-18 — — EP claimed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 — — US claimed
WO-2005058955-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2005-06-30 — — WO claimed
EP-0929574-B1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2005-06-29 — — EP claimed
WO-2003097857-A2 METHOD FOR THE DETECTION OF AQUARETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2003-11-27 — — WO claimed
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS INC. 2002-08-01 — — US claimed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 — — US claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 — — EP claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 — — US claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS — 1998-05-28 — — WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 — — WO claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 — — US disclosed
EP-1711523-B1 ANALOGUES OF GLP-1 IPSEN PHARMA (FR) 2012-10-10 — — EP disclosed
WO-1992003733-A1 METHODS AND COMPOSITIONS FOR EARLY DETECTION AND TREATMENT OF INSULIN DEPENDENT DIABETES MELLITUS UNIVERSITY OF FLORIDA (US) 1992-03-05 — — WO disclosed
EP-0448635-A1 METHODS AND COMPOSITIONS FOR THE EARLY DETECTION AND TREATMENT OF INSULIN DEPENDENT DIABETES MELLITUS. UNIV FLORIDA (US) 1991-10-02 — — EP disclosed
WO-1990007117-A1 METHODS AND COMPOSITIONS FOR THE EARLY DETECTION AND TREATMENT OF INSULIN DEPENDENT DIABETES MELLITUS UNIVERSITY OF FLORIDA (US) 1990-06-28 — — 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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 TAAR1 3447/4885HSPA5 825/4885HTR1A 880/4885
US-20070042952-A1 Analogues of glp-1 GLP1R, IAPP, GIPR TAAR1 3616/4885HSPA5 1405/4885HTR1A 759/4885
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids IAPP, APP, VIP TAAR1 4007/4885HSPA5 535/4885HTR1A 1430/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 TAAR1 3447/4885HSPA5 825/4885HTR1A 880/4885

“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.