SCHEMBL3699328

SCHEMBL3699328

[NH]C(=O)c1ncccc1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSPO P30536 1/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7052917 0.86 ALDH1A1 (0.52) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL726400 0.83 CTNNB1 (0.57) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL7054642 0.83 TSHR (0.45) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL11170285 0.81 TDP1 (0.60) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL10720008 0.81 CTNNB1 (0.42) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL7642204 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1HSD17B10TSHRKMT2A
SCHEMBL7055885 0.77 GCK (0.41) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL9645777 0.76 TDP1 (0.48) CTNNB1TDP1ALDH1A1MAPK1HSD17B10
SCHEMBL2424045 0.75 KMT2A (0.48) ALDH1A1TSHRL3MBTL1KMT2AMAPT
SCHEMBL27564839 0.75 CTNNB1 (0.51) CTNNB1TDP1ALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896507-B Catalyst compounds and their use EXXONMOBIL CHEM PATENTS INC 2012-11-28 CN disclosed
US-7767773-B2 Catalyst compounds are use thereof EXXONMOBILE CHEMICAL PATENTS INC. (US) 2010-08-03 US disclosed
EP-2112173-A1 Catalyst compounds and use thereof ExxonMobil Chemical Patents Inc. (US) 2009-10-28 EP disclosed
US-20080182952-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 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-20080182952-A1 Catalyst Compounds And Use Thereof HACL2, AHCYL1, CRKL CTNNB1 403/4885TDP1 4535/4885ALDH1A1 3779/4885

“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.