SCHEMBL5409417

SCHEMBL5409417

O=C(CCc1ccccc1O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
AKR1B1 P15121 1/20 0.39
TYR P14679 1/20 0.38
ALDH1A1 P00352 3/20 0.37
DAO P14920 1/20 0.37
POLB P06746 1/20 0.37
MPO P05164 2/20 0.37
GAA P10253 1/20 0.36
IAPP P10997 1/20 0.36
HSPA5 P11021 1/20 0.35

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
SCHEMBL11148296 0.86 AKR1B1 (0.50) HRH3AKR1B1ALDH1A1POLBMPO
SCHEMBL7519035 0.84 PSMB8 (0.43) PSMB8PSMB5HRH3NPC1RAB9A
SCHEMBL21664524 0.82 CDYL (0.49) PSMB8PSMB5
SCHEMBL436079 0.80 TDP1 (0.54) PSMB8PSMB5NPC1PKMALDH1A1
SCHEMBL7869140 0.80 KMT2A (0.56) RAB9AALDH1A1POLBGAA
SCHEMBL19658180 0.79 KMT2A (0.41) PSMB8PSMB5PKMRAB9AAKR1B1
SCHEMBL19658184 0.78 TDP1 (0.42) PSMB8PSMB5CYP4F2CYP4A11HRH3
SCHEMBL11032205 0.78 GSK3A (0.43) PSMB8PSMB5CYP4F2CYP4A11PKM
SCHEMBL28473571 0.77 HRH3 (0.50) CYP4F2CYP4A11HRH3NPC1PKM
SCHEMBL3490174 0.76 ERAP1 (0.38) PSMB8PSMB5ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217575-B2 Avidin derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2007-05-15 US disclosed
US-20040191832-A1 Avidin derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. 2004-09-30 US disclosed
US-20040067229-A1 Azobenzene derivatives as labeling agents and intermediates thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-08 US disclosed
US-20040043427-A1 Molecular bioswitch for detecting protein interactions using electrical conductivity Knobbe, Martens, Olson & Bear, LLP 2004-03-04 US disclosed
US-6632929-B1 Conjugate with 4'-hydroxyazobenzene-2-carboxylic acid derivative; change from red to yellow upon binding biotin YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2003-10-14 US disclosed
US-6602987-B1 4'-hydroxyazobenzene-2-carboxylic acid (HABA) compounds; useful as reagents for labeling, isolation and detection of biological molecules YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2003-08-05 US disclosed
WO-2000027814-A1 AVIDIN DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-05-18 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-20040067229-A1 Azobenzene derivatives as labeling agents and intermediates thereof CBR1, CBR3, HBB PSMB8 2382/4885PSMB5 3129/4885CYP4F2 747/4885

“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.