SCHEMBL6093385

SCHEMBL6093385

Nc1ccc(O)c(C=CC(=O)N2CCCC(O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.47
ENPP2 Q13822 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
ALOX5 P09917 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL6771789 0.89 ENPP2 (0.46) PELI1ENPP2SMN1; SMN2ALDH1A1NPC1
SCHEMBL6098470 0.86 PELI1 (0.49) PELI1SMN1; SMN2ALDH1A1HPGDTRPV1
Hydrochloric Acid SCHEMBL6094972 0.85 PELI1 (0.48) PELI1SMN1; SMN2ALDH1A1HPGDTRPV1
SCHEMBL6094563 0.85 PELI1 (0.62) PELI1SMN1; SMN2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL6095855 0.83 PELI1 (0.61) PELI1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6138775 0.83 SMN1; SMN2 (0.40) ENPP2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6096102 0.81 PELI1 (0.47) PELI1ENPP2SMN1; SMN2ALDH1A1NPC1
SCHEMBL6095866 0.76 PELI1 (0.40) PELI1ENPP2SMN1; SMN2POLBL3MBTL1
SCHEMBL6095870 0.76 PELI1 (0.40) PELI1ENPP2SMN1; SMN2POLBL3MBTL1
SCHEMBL6094793 0.76 TRPV1 (0.57) PELI1SMN1; SMN2ALDH1A1NPC1RAB9A

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-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK PELI1 1293/4885ENPP2 4395/4885SMN1; SMN2 4044/4885

“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.