SCHEMBL5381369

SCHEMBL5381369

CC(C)Sc1cccc(CBr)c1.CC(C)Sc1cccc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
S1PR1 P21453 5/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PRKCI P41743 1/20 0.33
ADAMTS4 O75173 1/20 0.33
TSHR P16473 3/20 0.33
RECQL P46063 1/20 0.33
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
VCP P55072 2/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL12096023 0.80 ENPP2 (0.40) ENPP2S1PR1DDB1CRBNSDCBP
SCHEMBL1023596 0.76 ENPP2 (0.50) ENPP2S1PR1PRSS1PRSS2PRSS3
SCHEMBL23901093 0.74 GABRA1 (0.39)
SCHEMBL10921320 0.74 ENPP2 (0.41) ENPP2S1PR1DDB1CRBNPRSS1
SCHEMBL13137670 0.74 ALDH1A1 (0.38) TSHRTRPA1ALDH1A1CYP4F2CYP4A11
SCHEMBL17048444 0.71 MAOA (0.44) ENPP2S1PR1DDB1CRBNSDCBP
SCHEMBL4619501 0.71 ALDH1A1 (0.42) TSHRRECQLTRPA1ALDH1A1
SCHEMBL95655 0.71 ENPP2 (0.45) ENPP2DDB1CRBNPRSS1PRSS2
SCHEMBL29899606 0.71 ENPP2 (0.45) ENPP2DDB1CRBNPRSS1PRSS2
SCHEMBL16139585 0.71 TRPA1 (0.42) ENPP2TSHRTRPA1ALDH1A1CYP4F2

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-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD ENPP2 312/4885S1PR1 402/4885DDB1 4827/4885

“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.