SCHEMBL6521901

SCHEMBL6521901

COC(=O)CCCCCOC(=O)c1c(C)oc(-c2ccccc2)c1-c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ATM Q13315 2/20 0.42
NPC1 O15118 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
FAAH O00519 1/20 0.41
TDP2 O95551 2/20 0.40
SMN1; SMN2 Q16637 4/20 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
SCHEMBL12791138 0.92 LTB4R (0.47) ALDH1A1KDM4EHPGDL3MBTL1ATM
SCHEMBL3665405 0.84 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDNPC1HDAC3
SCHEMBL3663483 0.84 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDNPC1HDAC3
SCHEMBL3669626 0.83 LTB4R (0.43) ALDH1A1KDM4EHPGDHDAC3HDAC4
SCHEMBL6517154 0.82 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDL3MBTL1ATM
SCHEMBL12791258 0.77 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDNPC1HDAC3
SCHEMBL12791142 0.77 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDNPC1HDAC3
SCHEMBL3668412 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDL3MBTL1ATM
SCHEMBL3669521 0.77 ESR1 (0.43) ALDH1A1KDM4EHPGDHDAC3HDAC4
SCHEMBL3664868 0.76 HDAC6 (0.43) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1

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 3 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
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 ALDH1A1 424/4885KDM4E 3432/4885HPGD 134/4885

“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.