SCHEMBL16871044

SCHEMBL16871044

C=CC(c1cccc(O)c1)C(C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ MIF P14174 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ LMNA P02545 5/20 0.42
▸ HIF1A Q16665 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ADRB2 P07550 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL16871060 1.00 ADRB1 (0.42) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10013089 0.88 LMNA (0.49) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL2501113 0.88 LMNA (0.49) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10013090 0.88 LMNA (0.49) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL2501303 0.88 LMNA (0.49) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16871496 0.86 ADRB1 (0.45) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16871645 0.86 ADRB1 (0.45) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16871055 0.84 LMNA (0.40) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16871243 0.84 LMNA (0.40) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16871040 0.81 L3MBTL1 (0.46) CYP3A4

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-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS SIEGFRIED AG (CH) 2015-07-02 — — 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-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS CYP3A43, CYP1A2, CYP2C8 ADRB1 67/4885ADRA1A 39/4885MIF 4475/4885

“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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