SCHEMBL1966734

SCHEMBL1966734

CCO[Si](CCCOC1CCC(N2C(=O)c3ccc(Br)cc3C2=O)CC1)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAOA P21397 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL3142398 0.87 L3MBTL1 (0.47) ALDH1A1MAPK1TSHRDDB1CRBN
SCHEMBL12694398 0.75 CRBN (0.57) ALDH1A1MAPK1TSHRDDB1CRBN
SCHEMBL2191627 0.74 DDB1 (0.43) ALDH1A1MAPK1TSHRDDB1CRBN
SCHEMBL10622409 0.73 PTAFR (0.32) HPGD
SCHEMBL20337367 0.72 L3MBTL1 (0.53) ALDH1A1MAPK1TSHRL3MBTL1SMN1; SMN2
SCHEMBL29191821 0.71 EPHX2 (0.30)
SCHEMBL600925 0.69 L3MBTL1 (0.56) ALDH1A1MAPK1TSHRDDB1CRBN
SCHEMBL600924 0.69 L3MBTL1 (0.56) ALDH1A1MAPK1TSHRDDB1CRBN
SCHEMBL12512638 0.68 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRL3MBTL1KDM4E
SCHEMBL601653 0.67 L3MBTL1 (0.59) ALDH1A1MAPK1TSHRDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9109119-B2 Chromophores, method for the preparation thereof, and use of same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2015-08-18 US disclosed
EP-2334739-B1 NOVEL CHROMOPHORES, METHOD FOR THE PREPARATION THEREOF, AND USE OF SAME CENTRE NAT RECH SCIENT (FR) 2013-11-06 EP disclosed
US-20110172439-A1 Novel Chromophores, Method for the Preparation Thereof, and Use of Same Centre National Se La Recherche Scientifique-CNRS (FR) 2011-07-14 US disclosed
EP-2334739-A2 NOVEL CHROMOPHORES, METHOD FOR THE PREPARATION THEREOF, AND USE OF SAME Centre National de la Recherche Scientifique - CNRS (FR) 2011-06-22 EP disclosed
WO-2010029274-A2 NOVEL CHROMOPHORES, METHOD FOR THE PREPARATION THEREOF, AND USE OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2010-03-18 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-20110172439-A1 Novel Chromophores, Method for the Preparation Thereof, and Use of Same C9, C5, C1S ALDH1A1 2826/4885MAPK1 4098/4885TSHR 1827/4885

“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.