SCHEMBL17859832

SCHEMBL17859832

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NP

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
ACE P12821 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
APAF1 O14727 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
MPO P05164 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
HIF1A Q16665 1/20 0.63
ITGB2 P05107 4/20 0.62
ICAM1 P05362 4/20 0.62
ITGAL P20701 4/20 0.62

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
SCHEMBL3857229 0.89 ALOX15 (0.74) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL3857226 0.89 ALOX15 (0.74) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL27819744 0.89 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL30782236 0.88 ALOX15 (0.70) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL170877 0.87 KDM4E (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL2167226 0.87 ALOX15 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL170878 0.87 KDM4E (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL1755294 0.87 ALOX15 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
Abrine SCHEMBL161767 0.86 ALOX15 (0.70) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL20816097 0.86 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360668-A1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT L'OREAL (FR) 2017-12-21 US disclosed
US-20170360668-A1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT L'OREAL (FR) 2017-12-21 US disclosed
WO-2016097398-A1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT L'OREAL (FR) 2016-06-23 WO 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-20170360668-A1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT TPH1, TPH2, TDO2 ALOX15 47/4885ACE 1420/4885SMN1; SMN2 4692/4885

“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.