SCHEMBL3107154

SCHEMBL3107154

CCN(CC)C(=O)c1ccc(C(O)c2cccc(O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.51
HPGD P15428 4/20 0.51
OPRM1 P35372 4/20 0.51
OPRK1 P41145 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6936409 0.86 OPRD1 (0.52) OPRD1HPGDOPRM1OPRK1ALDH1A1
SCHEMBL4576604 0.85 ALDH1A1 (0.65) OPRD1HPGDOPRM1OPRK1ALDH1A1
SCHEMBL8527824 0.85 HPGD (0.58) OPRD1HPGDOPRM1OPRK1ALDH1A1
SCHEMBL13620473 0.85 OPRD1 (0.48) OPRD1HPGDOPRM1OPRK1ALDH1A1
SCHEMBL4830938 0.85 HPGD (0.54) OPRD1HPGDOPRM1OPRK1ALDH1A1
SCHEMBL1989199 0.83 OPRD1 (0.63) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL10313331 0.83 OPRD1 (0.46) OPRD1HPGDOPRM1OPRK1ALDH1A1
SCHEMBL14108185 0.82 OPRD1 (0.48) OPRD1HPGDOPRM1OPRK1CYP1A2
SCHEMBL6780785 0.81 OPRD1 (0.49) OPRD1HPGDOPRM1OPRK1CYP1A2
SCHEMBL71266 0.81 OPRD1 (0.54) OPRD1HPGDOPRM1OPRK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates NEKTAR THERAPEUTICS (US) 2012-01-05 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-20120004242-A1 Oligomer-Diarylpiperazine Conjugates BIRC5, MTX2, IAPP OPRD1 2294/4885HPGD 2167/4885OPRM1 574/4885

“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.