SCHEMBL16871040

SCHEMBL16871040

C=C[C@@H](c1cccc(OC)c1)[C@@H](C)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MTNR1A P48039 8/20 0.44
▸ MTNR1B P49286 8/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ PRKG1 Q13976 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AKT2 P31751 1/20 0.43

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
SCHEMBL16870971 1.00 L3MBTL1 (0.46) L3MBTL1MTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL16871508 0.89 L3MBTL1 (0.46) L3MBTL1MTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL16871593 0.89 L3MBTL1 (0.46) L3MBTL1MTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL16871463 0.87 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2POLBROCK2ROCK1
SCHEMBL16871416 0.87 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2POLBROCK2ROCK1
SCHEMBL16871042 0.85 AOC3 (0.43) L3MBTL1SMN1; SMN2POLBROCK2ROCK1
SCHEMBL16871038 0.85 AOC3 (0.43) L3MBTL1SMN1; SMN2POLBROCK2ROCK1
SCHEMBL16871045 0.81 KMT2A (0.53) SMN1; SMN2MEN1KMT2A
SCHEMBL16871057 0.81 KMT2A (0.53) SMN1; SMN2MEN1KMT2A
SCHEMBL16871044 0.81 ADRB1 (0.42) 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 L3MBTL1 1979/4885MTNR1A 444/4885MTNR1B 762/4885

“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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