SCHEMBL6094793

SCHEMBL6094793

Nc1ccc(O)c(C=CC(=O)N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.51
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PELI1 Q96FA3 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MAOB P27338 1/20 0.48
PLAU P00749 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Hydrochloric Acid SCHEMBL6093514 0.99 TRPV1 (0.56) TRPV1RAB9ANPC1KDM4EHPGD
SCHEMBL6772609 0.88 RAB9A (0.54) TRPV1RAB9ANPC1KDM4EHPGD
SCHEMBL6094563 0.87 PELI1 (0.62) TRPV1RAB9ANPC1KDM4EHPGD
Hydrochloric Acid SCHEMBL6095855 0.86 PELI1 (0.61) TRPV1RAB9ANPC1KDM4EHPGD
SCHEMBL6093756 0.84 POLB (0.52) TRPV1RAB9AKDM4EHPGDITGB2
SCHEMBL6098470 0.84 PELI1 (0.49) TRPV1HPGDL3MBTL1PELI1ALDH1A1
Hydrochloric Acid SCHEMBL6094577 0.83 ALDH1A1 (0.52) TRPV1RAB9AKDM4EHPGDITGB2
Hydrochloric Acid SCHEMBL6094972 0.83 PELI1 (0.48) TRPV1HPGDL3MBTL1PELI1ALDH1A1
SCHEMBL6096644 0.78 RAB9A (0.52) TRPV1RAB9ANPC1KDM4EHPGD
SCHEMBL7572404 0.76 RAB9A (0.67) RAB9ANPC1KDM4EHPGDITGB2

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 TRPV1 873/4885RAB9A 4080/4885NPC1 4719/4885

“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.