SCHEMBL6518530

SCHEMBL6518530

COC(=O)c1c(C)oc(-c2ccccc2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM6 O15303 1/20 0.43
GRM5 P41594 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
TDP2 O95551 1/20 0.42
IDO1 P14902 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
PRKCZ Q05513 1/20 0.41
AR P10275 1/20 0.41
PRNP P04156 1/20 0.41
TSHR P16473 1/20 0.41
GABRA1 P14867 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
SCHEMBL21587530 0.84 PTGS1 (0.54) PTGS1LMNAHTTALDH1A1ATM
SCHEMBL3669626 0.80 LTB4R (0.43) ALDH1A1TDP2MEN1KMT2AHPGD
SCHEMBL13760654 0.79 MAPT (0.44) LMNAHTTALDH1A1ATML3MBTL1
SCHEMBL12790854 0.78 ALDH1A1 (0.55) PTGS1LMNAHTTALDH1A1ATM
SCHEMBL3662731 0.77 HSD17B10 (0.50) PTGS1LMNAHTTALDH1A1L3MBTL1
SCHEMBL6517154 0.76 L3MBTL1 (0.57) PTGS1LMNAHTTALDH1A1ATM
SCHEMBL3667325 0.74 HDAC6 (0.49) LMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11496756 0.73 GRM6 (0.54) PTGS1LMNAHTTALDH1A1ATM
SCHEMBL10460681 0.72 PTGS1 (0.50) PTGS1LMNAHTTALDH1A1ATM
SCHEMBL16502243 0.71 PTGS1 (0.73) PTGS1LMNAHTTALDH1A1GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US claimed
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 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
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 (2 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 PTGS1 692/4885LMNA 4015/4885HTT 4201/4885
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE XDH, TXN2, FABP3 PTGS1 50/4885LMNA 443/4885HTT 2233/4885

“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.