SCHEMBL12626952

SCHEMBL12626952

COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.64
▸ ADRB1 P08588 4/20 0.64
▸ CYP2D6 P10635 2/20 0.64
▸ NR3C1 P04150 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ ADRB3 P13945 2/20 0.51
▸ ABCB1 P08183 3/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL11925292 0.89 ADRB2 (0.64) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL11929022 0.88 ADRB2 (0.62) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL11122543 0.86 ADRB1 (0.61) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL19944672 0.85 ADRB1 (0.73) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL30697269 0.83 ADRB2 (0.57) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL12122747 0.81 ADRB1 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL9599229 0.81 ADRB1 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL18034999 0.81 ADRB2 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL9598039 0.81 ADRB1 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL6277059 0.81 ADRB1 (0.67) ADRB2ADRB1CYP2D6NR3C1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877930-B2 Continuous flow synthesis of amino alcohols using microreactors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-04 — — US disclosed
US-8877930-B2 Continuous flow synthesis of amino alcohols using microreactors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-04 — — US disclosed
US-20110118469-A1 CONTINUOUS FLOW SYNTHESIS OF AMINO ALCOHOLS USING MICROREACTORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-19 — — US disclosed
US-20110118469-A1 CONTINUOUS FLOW SYNTHESIS OF AMINO ALCOHOLS USING MICROREACTORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-19 — — 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-20110118469-A1 CONTINUOUS FLOW SYNTHESIS OF AMINO ALCOHOLS USING MICROREACTORS ADH1C, ADH1A, ADH5 ADRB2 1719/4885ADRB1 1460/4885CYP2D6 201/4885

“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.

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