SCHEMBL5146376

SCHEMBL5146376

C=CCC1=Cc2c(cccc2-c2c(CC=C)cccc2CC=C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
AKR1B1 P15121 1/20 0.38
PNMT P11086 1/20 0.33
HTR1A P08908 2/20 0.33
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL7571188 0.81 ADRA1D (0.35) GABRA1GABRB2PNMTHTR1AADRA1D
SCHEMBL5136508 0.75 ADRA2A (0.38) ADRA2AADRA2BADRA2C
SCHEMBL6404951 0.73 THRA (0.36)
SCHEMBL8509648 0.70 GABRA1 (0.49) GABRA1GABRB2AKR1B1PNMTHTR1A
SCHEMBL5824091 0.69 GABRA1 (0.58) GABRA1GABRB2AKR1B1ADRA2AADRA2B
SCHEMBL7166791 0.69 CYP3A4 (0.30)
SCHEMBL6536949 0.69 GABRA1 (0.35) GABRA1GABRB2AKR1B1
SCHEMBL5859274 0.67 ACHE (0.45) HTR1AADRA1DADRA1AADRA1B
SCHEMBL252161 0.67 PNMT (0.62) GABRA1GABRB2AKR1B1PNMTHTR1A
SCHEMBL14262138 0.67 GABRA1 (0.49) GABRA1GABRB2AKR1B1ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US claimed
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 claimed
EP-1572606-A4 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2008-07-09 EP disclosed
EP-1572606-A4 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2008-07-09 EP disclosed
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US disclosed
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US disclosed
EP-1572606-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2005-09-14 EP disclosed
EP-1572606-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2005-09-14 EP disclosed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US disclosed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US disclosed
WO-2003101601-A3 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2004-05-13 WO 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
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
EP-1123298-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-08-16 EP 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
WO-2001014388-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-03-01 WO disclosed
WO-2001014388-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-03-01 WO disclosed
US-3914305-A N-{8 (10,11-dihydro-5H-dibenzo{8 a,d{9 cyclohepten-5-yl)methyl{9 amides AYERST MCKENNA & HARRISON 1975-10-21 US 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-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes DDT, DUOX2, DYRK4 GABRA1 1204/4885GABRB2 976/4885AKR1B1 792/4885

“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.