SCHEMBL5898685

SCHEMBL5898685

C=CCN1CCC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
HTR1A P08908 14/20 0.35
DRD2 P14416 12/20 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
SCHEMBL5701885 1.00 ACE (0.37) ACEHTR1ADRD2
SCHEMBL5701867 1.00 ACE (0.37) ACEHTR1ADRD2
SCHEMBL15665285 0.89 CYP1A2 (0.40) ACE
SCHEMBL351763 0.89 CYP1A2 (0.40) ACE
SCHEMBL351762 0.89 CYP1A2 (0.40) ACE
SCHEMBL31053890 0.87 CYP1A2 (0.40) ACE
Hydrochloric Acid SCHEMBL19510378 0.87 CYP1A2 (0.40) ACE
SCHEMBL5531122 0.87 SMN1; SMN2 (0.43) ACE
Hydrochloric Acid SCHEMBL9734098 0.87 CYP1A2 (0.40) ACE
SCHEMBL5898651 0.85 SMN1; SMN2 (0.42) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-100350036-C Apparatus and method for controlling biofilms PROCTER & GAMBLE (US) 2007-11-21 CN disclosed
CN-1327766-C Compounds, compositions, and methods for controlling biofilms PROCTER & GAMBLE (US) 2007-07-25 CN disclosed
CN-1307875-C Compounds, compositions and methods for controlling biofilms PROCTER & GAMBLE (US) 2007-04-04 CN disclosed
US-20060165648-A1 Compounds, compositions, and methods for controlling biofilms DEGENHARDT CHARLES R 2006-07-27 US disclosed
US-7018642-B2 Compounds, compositions, and methods for controlling biofilms THE PROCTER & GAMBLE COMPANY (US) 2006-03-28 US disclosed
CN-1699545-A Apparatus and method for controlling biofilms PROCTER & GAMBLE (US) 2005-11-23 CN disclosed
CN-1689405-A Compounds, compositions, and methods for controlling biofilms PROCTER & GAMBLE (US) 2005-11-02 CN disclosed
CN-1527876-A Compounds, compositions and methods for controlling biofilms 2004-09-08 CN disclosed
EP-1381668-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS THE PROCTER & GAMBLE COMPANY (US) 2004-01-21 EP disclosed
US-20030105072-A1 Compounds, compositions, and methods for controlling biofilms THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
WO-2002088298-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS THE PROCTER & GAMBLE COMPANY (US) 2002-11-07 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 (2 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-20060165648-A1 Compounds, compositions, and methods for controlling biofilms BMP2, BMP1, BMP4 ACE 2845/4885HTR1A 2328/4885DRD2 2000/4885
US-20030105072-A1 Compounds, compositions, and methods for controlling biofilms BMP2, BMP1, BMP4 ACE 2845/4885HTR1A 2328/4885DRD2 2000/4885

“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.