SCHEMBL15026292

SCHEMBL15026292

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.46
▸ ALOX5 P09917 2/20 0.44
▸ PTGES O14684 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ TLR4 O00206 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ CYSLTR2 Q9NS75 3/20 0.43
▸ CYSLTR1 Q9Y271 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ACACB O00763 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL28238509 0.82 CACNA1B (0.50) CACNA1BALOX5PTGESPPARGPPARA
SCHEMBL15026266 0.81 KDM4E (0.44) CACNA1BALOX5PTGESPPARGPPARA
SCHEMBL15009016 0.81 BCHE (0.52) ALOX5KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL15024190 0.81 BCHE (0.52) ALOX5KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL27954038 0.80 CHRM2 (0.45) SMN1; SMN2
SCHEMBL16961945 0.80 TSHR (0.46) CACNA1BALOX5PTGESPPARGPPARA
SCHEMBL28035867 0.78 CYSLTR2 (0.52) CACNA1BALOX5PTGESPPARGPPARA
SCHEMBL16950919 0.77 TSHR (0.51) CACNA1BALOX5PTGESPPARGPPARA
SCHEMBL12652785 0.77 KDM4E (0.67) CACNA1BALOX5PTGESPPARGPPARA
SCHEMBL25080975 0.75 CACNA1B (0.54) CACNA1BALOX5PTGESPPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013090161-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — WO disclosed
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 CACNA1B 182/4885ALOX5 1488/4885PTGES 230/4885

“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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