SCHEMBL5136508

SCHEMBL5136508

C=CCC1=Cc2c(Cl)cccc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
AHR P35869 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
SCHEMBL5953900 0.77 ADRA2A (0.40) ADRA2AADRA2BADRA2CAHR
SCHEMBL7571188 0.76 ADRA1D (0.35)
SCHEMBL5146376 0.75 GABRA1 (0.42) ADRA2AADRA2BADRA2C
SCHEMBL5954174 0.75 ADRA2A (0.39) ADRA2AADRA2BADRA2CAHR
SCHEMBL5954212 0.73 ADRA2A (0.38) ADRA2AADRA2BADRA2CALDH1A1HPGD
SCHEMBL5954076 0.72 ADRA2A (0.37) ADRA2AADRA2BADRA2CAHR
SCHEMBL6404951 0.72 THRA (0.36)
SCHEMBL5859274 0.72 ACHE (0.45)
SCHEMBL8516731 0.71 KDM4E (0.39) ALDH1A1HPGD
SCHEMBL1453793 0.69 ADRA2A (0.37) ADRA2AADRA2BADRA2CALDH1A1AHR

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-1572606-A4 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2008-07-09 EP claimed
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US claimed
EP-1572606-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2005-09-14 EP claimed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US claimed
WO-2003101601-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2003-12-11 WO claimed
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO disclosed
EP-1123298-A4 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2002-08-07 EP disclosed
US-6291699-B1 TO PRODUCE BRIDGED METALLOCENE LIGANDS WHICH CAN BE CONVERTED INTO BRIDGED METALLOCENES USEFUL AS OLFIN POLYMERIZATION CATALYST BOULDER SCIENTIFIC COMPANY 2001-09-18 US disclosed
EP-1123298-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-08-16 EP disclosed
WO-2001014388-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-03-01 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-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes DDT, DUOX2, DYRK4 ADRA2A 1763/4885ADRA2B 1560/4885ADRA2C 2140/4885
US-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 ADRA2A 2316/4885ADRA2B 2650/4885ADRA2C 2527/4885

“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.