SCHEMBL17859830

SCHEMBL17859830

O=C(CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ACE P12821 3/20 0.59
ITGB2 P05107 3/20 0.58
ICAM1 P05362 3/20 0.58
ITGAL P20701 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ERAP2 Q6P179 1/20 0.57
MMP9 P14780 2/20 0.57
MMP2 P08253 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56

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
Konbamidin SCHEMBL6277606 0.88 ALOX15 (0.64) ALOX15MEN1KMT2AACEITGB2
SCHEMBL8710928 0.87 SMN1; SMN2 (0.68) ALOX15MEN1KMT2AACEITGB2
SCHEMBL8710933 0.87 SMN1; SMN2 (0.68) ALOX15MEN1KMT2AACEITGB2
SCHEMBL14125400 0.86 ALOX15 (0.61) ALOX15MEN1KMT2AACEITGB2
SCHEMBL29171716 0.86 ALOX15 (0.68) ALOX15MEN1KMT2AACEITGB2
SCHEMBL5123003 0.86 ALOX15 (0.67) ALOX15MEN1KMT2AACEITGB2
SCHEMBL5123004 0.86 ALOX15 (0.67) ALOX15MEN1KMT2AACEITGB2
SCHEMBL9115505 0.84 ALOX15 (0.65) ALOX15MEN1KMT2AACEITGB2
SCHEMBL9115508 0.84 ALOX15 (0.65) ALOX15MEN1KMT2AACEITGB2
SCHEMBL22654181 0.84 ALOX15 (0.65) ALOX15MEN1KMT2AACEITGB2

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 47/4885MEN1 4447/4885KMT2A 3579/4885

“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.