SCHEMBL15024190

SCHEMBL15024190

C=CC(c1cccc(OCc2ccccc2)c1)[C@@H](C)C=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.52
▸ MAOB P27338 5/20 0.51
▸ MAOA P21397 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALOX5 P09917 1/20 0.49
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ LCK P06239 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
SCHEMBL15009016 1.00 BCHE (0.52) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL12500125 0.85 ALOX5 (0.56) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871388 0.85 ALOX5 (0.56) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871400 0.85 BCHE (0.49) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871401 0.85 BCHE (0.49) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871045 0.84 KMT2A (0.53) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871057 0.84 KMT2A (0.53) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871206 0.84 KMT2A (0.49) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871393 0.84 KMT2A (0.49) BCHEMAOBMAOAKMT2ASMN1; SMN2
SCHEMBL16871205 0.83 KMT2A (0.55) BCHEMAOBMAOAKMT2ASMN1; SMN2

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-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 — — 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-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS SLC6A2, SLC6A4, SLC6A6 BCHE 189/4885MAOB 1938/4885MAOA 1824/4885

“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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