SCHEMBL338060

SCHEMBL338060

Cc1c(Br)ccc(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL29380074 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL1590024 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL1248015 0.81 NCEH1 (0.39) ALDH1A1
SCHEMBL30499370 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3396598 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10871807 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16555657 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21616742 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2319989 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6062069 0.77 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124490-A1 HIGH STABILITY POLYIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2017-02-01 EP disclosed
EP-2114969-B1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA ALDRICH CO LLC (US) 2016-06-29 EP disclosed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
EP-1782810-A2 Selective estrogen receptor modulators containing a phenylsulfonyl group Eli Lilly & Company (US) 2007-05-09 EP disclosed
CN-1931803-A Organic electroluminescent material and its application UNIV TSINGHUA (CN) 2007-03-21 CN disclosed
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group ELILILLY AND COMPANY 2006-08-17 US disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
EP-0974585-B1 Method for the preparation of pyrazoles BASF AG (DE) 2003-10-01 EP disclosed
US-6022979-A Process for preparing pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
EP-0974585-A1 Method for the preparation of pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2000-01-26 EP 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 (5 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG ALDH1A1 4720/4885
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group GPER1, ESR2, ESR1 ALDH1A1 424/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885

“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.