SCHEMBL7267199

SCHEMBL7267199

COc1ccc(OC)c(CCCCCCCCCCCBr)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
AOC3 Q16853 1/20 0.54
IDO1 P14902 2/20 0.51
HTR2A P28223 3/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR2C P28335 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HTR2B P41595 1/20 0.45

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
SCHEMBL1155658 1.00 ADRA1A (0.60) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL23203396 1.00 ADRA1A (0.60) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL9551466 1.00 ADRA1A (0.60) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL25308876 0.86 ADRA1A (0.68) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL10767997 0.85 ADRA1A (0.62) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL5133668 0.85 ADRA1A (0.62) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL8160809 0.85 APLNR (0.54) ADRA1ATAAR1HTR2AHTR2CCA12
SCHEMBL5932087 0.85 GABRA1 (0.41) ADRA1ATAAR1MTNR1AMTNR1BHTR2A
SCHEMBL10601156 0.85 ADRA1A (0.62) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL581510 0.83 ADRA1A (0.60) ADRA1ATAAR1MTNR1AMTNR1BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030129591-A1 Linker arms for nanocrystals and compounds thereof ROSENTHALL SANDRA J (US) 2003-07-10 US disclosed
WO-2001090717-A2 LINKER ARMS FOR NANOCRYSTALS AND COMPOUNDS THEREOF VANDERBILT UNIVERSITY (US) 2001-11-29 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-20030129591-A1 Linker arms for nanocrystals and compounds thereof SCO2, CTH, CYCS ADRA1A 4462/4885TAAR1 3997/4885MTNR1A 2824/4885

“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.