SCHEMBL5752195

SCHEMBL5752195

Cc1cccc2c1CCCCC2O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.51
OPRL1 P41146 3/20 0.46
KCNH2 Q12809 1/20 0.46
OPRM1 P35372 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KMT2A Q03164 1/20 0.41
MAP3K14 Q99558 1/20 0.39
POLL Q9UGP5 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
HTR2C P28335 1/20 0.36
BRD3 Q15059 1/20 0.36

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
SCHEMBL12014020 0.94 UGT2B17 (0.58) UGT2B17OPRL1KCNH2OPRM1ADRA2A
SCHEMBL1746541 0.89 OPRL1 (0.51) UGT2B17OPRL1KCNH2OPRM1ADRA2A
SCHEMBL1151022 0.89 OPRL1 (0.51) UGT2B17OPRL1KCNH2OPRM1ADRA2A
SCHEMBL30997127 0.89 OPRL1 (0.51) UGT2B17OPRL1KCNH2OPRM1ADRA2A
SCHEMBL1508536 0.89 OPRL1 (0.51) UGT2B17OPRL1KCNH2OPRM1ADRA2A
SCHEMBL29325486 0.80 GID4 (0.41) UGT2B17KMT2APOLLBRD3
SCHEMBL29325214 0.80 GID4 (0.41) UGT2B17KMT2APOLLBRD3
SCHEMBL29325484 0.80 HTR2C (0.41) UGT2B17OPRL1OPRM1KMT2ATAS1R3
SCHEMBL30004585 0.80 GID4 (0.41) UGT2B17KMT2APOLLBRD3
SCHEMBL7919900 0.80 GID4 (0.41) UGT2B17KMT2APOLLBRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP UGT2B17 1123/4885OPRL1 1125/4885KCNH2 4532/4885

“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.