SCHEMBL20436132

SCHEMBL20436132

CCCNCC(O)COc1cccc(OCC(O)CNCCN)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ ADRB3 P13945 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ ADRB2 P07550 2/20 0.48
▸ ADRB1 P08588 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TAAR1 Q96RJ0 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
SCHEMBL18506356 0.93 KDM4E (0.56) KDM4EADRB3KMT2AALDH1A1MEN1
SCHEMBL20436123 0.89 ADRB3 (0.54) ADRB3KMT2AMEN1OPRM1OPRD1
SCHEMBL10738074 0.86 ADRB2 (0.65) KDM4EADRB3KMT2AALDH1A1MEN1
SCHEMBL10770040 0.84 ADRB3 (0.51) KDM4EADRB3KMT2AALDH1A1MEN1
SCHEMBL7327969 0.83 MEN1 (0.68) ADRB3KMT2AMEN1OPRM1OPRD1
SCHEMBL11922778 0.83 MEN1 (0.68) ADRB3KMT2AALDH1A1MEN1OPRM1
SCHEMBL20436115 0.83 ADRB3 (0.54) ADRB3KMT2AMEN1ADRB2ADRB1
Hydrochloric Acid SCHEMBL10345932 0.81 MEN1 (0.67) ADRB3KMT2AMEN1OPRM1OPRD1
SCHEMBL18506359 0.81 ADRB3 (0.60) ADRB3KMT2AMEN1OPRM1OPRD1
SCHEMBL10836940 0.81 ATM (0.53) ADRB3KMT2AALDH1A1MEN1OPRM1

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-20180215863-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-08-02 — — 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-20180215863-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS EEF1A1, EEF1A2, EEF1E1 KDM4E 54/4885ADRB3 1748/4885KMT2A 507/4885

“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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