SCHEMBL3666080

SCHEMBL3666080

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
UBE2N P61088 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS2 P35354 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL12790881 0.85 PTGS2 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3668412 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3668413 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL6517154 0.76 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3660725 0.75 ESR1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3666194 0.74 MAPT (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL1119251 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3667374 0.71 MEN1 (0.40) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL21667786 0.71 CA4 (0.62) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL31315629 0.71 MAOB (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1

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 6 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
EP-2240461-A1 SUBSTITUTED FURANS AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO 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.