SCHEMBL16871401

SCHEMBL16871401

C=CC(c1cccc(OCc2ccccc2)c1)C(C)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.49
▸ MAOB P27338 5/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ LCK P06239 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 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
SCHEMBL16871400 1.00 BCHE (0.49) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL16871393 0.89 KMT2A (0.49) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL16871206 0.89 KMT2A (0.49) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL15008984 0.86 ALOX5 (0.47) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL16871387 0.86 ALOX5 (0.47) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL15024186 0.86 ALOX5 (0.47) BCHEMAOBKMT2ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL15008699 0.85 ALOX5 (0.46) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL15024190 0.85 BCHE (0.52) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL15009016 0.85 BCHE (0.52) BCHEMAOBKMT2ASMN1; SMN2ALOX5
SCHEMBL16871594 0.84 BCHE (0.52) BCHEMAOBKMT2ASMN1; SMN2ALOX5

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 BCHE 506/4885MAOB 801/4885KMT2A 1605/4885

“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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