SCHEMBL6890468

SCHEMBL6890468

CC1C2CCCCC1(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL17048860 0.67
SCHEMBL497572 0.66 LIPA (0.40) ALDH1A1GAA
SCHEMBL2568051 0.66 LIPA (0.40) ALDH1A1GAA
SCHEMBL7132308 0.66 LIPA (0.40) ALDH1A1GAA
SCHEMBL15261953 0.66 LIPA (0.40) ALDH1A1GAA
SCHEMBL6723241 0.65 LIPA (0.40) GAA
SCHEMBL3000581 0.64 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23885014 0.64 LIPA (0.39) GAA
SCHEMBL18297885 0.64 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6814313 0.64 LIPA (0.39) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235023-A1 Parallel combinatorial approach to the discovery and optimization of catalysts and uses thereof JACOBSEN ERIC N (US) 2004-11-25 US disclosed
US-6709824-B2 SCREENING SAMPLE FOR CATALYST; GENERATE LIBRARY OF CATALYST, SCREEN LIBRARY, RECOVER CATALYST PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-03-23 US disclosed
US-6489093-B1 THE PRESENT INVENTION PROVIDES METHODS AND COMPOSITIONS, I.E. SYNTHETIC LIBRARIES OF BINDING MOITIES, FOR METAL ATOM OR TO NON-METAL IONS, E.G., CATIONIC OR ANIONIC MOLECULES. PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-12-03 US disclosed
US-20020102612-A1 Parallel combinatorial approach to the discovery and optimization of catalysts and uses thereof JACOBSEN ERIC N (US) 2002-08-01 US disclosed
US-6316616-B1 USED AS CATALYST TO CATALYZE A CHEMOSELECTIVE, REGIOSELECTIVE, STEREOSELECTIVE OR ENANTIOSELECTIVE TRANSFORMATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2001-11-13 US disclosed
EP-1066228-A1 PARALLEL COMBINATORIAL APPROACH TO THE DISCOVERY AND OPTIMIZATION OF CATALYSTS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-01-10 EP disclosed
WO-1999051546-A9 PARALLEL COMBINATORIAL APPROACH TO THE DISCOVERY AND OPTIMIZATION OF CATALYSTS AND USES THEREOF HARVARD COLLEGE (US) 1999-11-18 WO disclosed
WO-1999051546-A1 PARALLEL COMBINATORIAL APPROACH TO THE DISCOVERY AND OPTIMIZATION OF CATALYSTS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-10-14 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 (1 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-20020102612-A1 Parallel combinatorial approach to the discovery and optimization of catalysts and uses thereof COASY, DCXR, LSS ALDH1A1 741/4885GAA 199/4885

“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.