SCHEMBL373372

SCHEMBL373372

BrC1(Br)C2CCCCCCC21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL375842 1.00 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL135065 0.96
SCHEMBL2154851 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL138530 0.59
SCHEMBL18430746 0.59
SCHEMBL31178563 0.59
SCHEMBL12079166 0.56 ALDH1A1 (0.36) ALDH1A1HSD17B10
SCHEMBL5924608 0.56
SCHEMBL18636380 0.56 ALDH1A1 (0.36) ALDH1A1HSD17B10
SCHEMBL1977943 0.56 ALDH1A1 (0.36) ALDH1A1HSD17B10

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
EP-2314566-B1 Process for the functionalization of biological molecules COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-01-24 EP disclosed
EP-2408792-B1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-20 EP disclosed
EP-2408793-B1 METHOD FOR SURFACE FUNCTIONALISATION BY DISUBSTITUTED ALKYNES COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-07-23 EP disclosed
US-8653291-B2 Method for surface functionalization by disubstituted alkynes COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-02-18 US disclosed
US-8592619-B2 Bifunctional molecules comprising a cycloalkyne or heterocycloalkyne group and a redox group Commissariat a L'Energie Atomique et aux Enerigies Alternatives (FR) 2013-11-26 US disclosed
US-8541604-B2 Process for the functionalization of biological molecules COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2013-09-24 US disclosed
US-20120095247-A1 METHOD FOR SURFACE FUNCTIONALIZATION BY DISUBSTITUTED ALKYNES COMMISSARIAT A L'ENERGIE AUTOMIQUE ET AUX ENE ALT (FR) 2012-04-19 US disclosed
US-20120037871-A1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-02-16 US disclosed
EP-2408792-A1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-01-25 EP disclosed
US-20110118484-A1 PROCESS FOR THE FUNCTIONALIZATION OF BIOLOGICAL MOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-05-19 US disclosed
EP-2314566-A1 Process for the functionalization of biological molecules Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2011-04-27 EP disclosed
WO-2010106245-A1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-09-23 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 (3 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-20120037871-A1 NOVEL BIFUNCTIONAL MOLECULES COMPRISING A CYCLOALKYNE OR HETEROCYCLOALKYNE GROUP AND A REDOX GROUP CBR3, CBR1, CYBB ALDH1A1 244/4885HSD17B10 308/4885
US-20110118484-A1 PROCESS FOR THE FUNCTIONALIZATION OF BIOLOGICAL MOLECULES POLRMT, DNASE1, POLM ALDH1A1 597/4885HSD17B10 2271/4885
US-20120095247-A1 METHOD FOR SURFACE FUNCTIONALIZATION BY DISUBSTITUTED ALKYNES F12, CYP1A1, ADGRF1 ALDH1A1 72/4885HSD17B10 815/4885

“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.