SCHEMBL3397535

SCHEMBL3397535

COc1cc(OC(C(=O)O)C(C)(C)C)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
GRM4 Q14833 1/20 0.36
ACHE P22303 2/20 0.35
BACE1 P56817 1/20 0.35
LDHA P00338 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16753082 0.78 LDHA (0.42) KMT2ALDHACYP1A2
SCHEMBL16753741 0.75 PLG (0.41) EDNRBEDNRAAKR1C3NPC1PTGS1
SCHEMBL1371338 0.75 KMT2A (0.40) EDNRBEDNRAHSD17B10KMT2ACYP1A2
SCHEMBL3399990 0.74 UCHL1 (0.35) EDNRBEDNRAKMT2AAKR1C3AKR1C2
SCHEMBL6001992 0.73 AKR1C3 (0.42) EDNRBEDNRAHSD17B10AKR1C3AKR1C2
SCHEMBL7037791 0.72 ATM (0.47) EDNRBEDNRAKMT2ANPC1CYP1A2
SCHEMBL3979786 0.71 LDHA (0.59) KMT2ALDHACYP1A2ALDH1A1TSHR
SCHEMBL657468 0.71 ALDH1A1 (0.39) KMT2ALDHANPC1CYP1A2ALDH1A1
SCHEMBL28871353 0.71 SMN1; SMN2 (0.50) HSD17B10KMT2ANPC1ALDH1A1MEN1
SCHEMBL29445512 0.71 CA12 (0.62) HSD17B10KMT2ACYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216856-B2 Luminescent lanthanide labelling reagents and their use ABACUS DIAGNOSTICA OY (FI) 2012-07-10 US disclosed
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed
US-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-04-01 US disclosed
EP-2052252-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE Abacus Diagnostica OY (FI) 2009-04-29 EP disclosed
WO-2008020113-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2008-02-21 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-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE SCLY, SRM, TST EDNRB 420/4885EDNRA 1139/4885HSD17B10 2962/4885

“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.