SCHEMBL6524914

SCHEMBL6524914

COc1ccc(-c2c(-c3ccccc3)oc(C)c2C(=O)Nc2cccc(OC(C)C(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 5/20 0.48
TRPV1 Q8NER1 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
NLRP3 Q96P20 1/20 0.44
TP53 P04637 1/20 0.44
KCNK9 Q9NPC2 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3663494 0.85 ADORA3 (0.50) KMT2ATSHRMEN1ALDH1A1TRPV1
SCHEMBL3663497 0.85 NPC1 (0.53) KMT2ATSHRMEN1ALDH1A1TRPV1
SCHEMBL12791164 0.85 HTT (0.55) KMT2ATSHRMEN1ALDH1A1TRPV1
SCHEMBL12791098 0.84 ALDH1A1 (0.52) KMT2ATSHRMEN1ALDH1A1TRPV1
SCHEMBL6517154 0.75 L3MBTL1 (0.57) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3668412 0.75 ALDH1A1 (0.55) KMT2ATSHRMEN1ALDH1A1KDM4E
SCHEMBL12791183 0.71 MAPT (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL12791191 0.71 MAPT (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6518620 0.70 MAPT (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6520998 0.70 MAPT (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT

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
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 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-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE XDH, TXN2, FABP3 KMT2A 4756/4885TSHR 4465/4885MEN1 1583/4885

“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.