SCHEMBL6010110

SCHEMBL6010110

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
ALOX15 P16050 1/20 0.59
ACE P12821 3/20 0.58
ITGB2 P05107 3/20 0.56
ICAM1 P05362 3/20 0.56
ITGAL P20701 3/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MPO P05164 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL6010119 1.00 SMN1; SMN2 (0.60) SMN1; SMN2ALOX15ACEITGB2ICAM1
Hydrochloric Acid SCHEMBL6010113 0.99 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15ACEITGB2ICAM1
Hydrochloric Acid SCHEMBL6010121 0.99 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL9924202 0.89 ALOX15 (0.61) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL8710928 0.89 SMN1; SMN2 (0.68) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL8710933 0.89 SMN1; SMN2 (0.68) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL28475095 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL28475091 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL11589471 0.86 ACE (0.65) SMN1; SMN2ALOX15ACEITGB2ICAM1
SCHEMBL28973296 0.86 ACE (0.65) SMN1; SMN2ALOX15ACEITGB2ICAM1

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
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative SEIWA KASEI COMPANY, LIMITED (JP) 2006-01-26 US disclosed
EP-1584320-A1 COSMETIC PREPARATION CONTAINING GLYCERYLAMINO ACID DERIVATIVE Seiwa Kasei Company, Limited (JP) 2005-10-12 EP 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-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative GLA, GPKOW, CUTA SMN1; SMN2 3951/4885ALOX15 2124/4885ACE 4053/4885

“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.