SCHEMBL1892421

SCHEMBL1892421

COc1cc(C(C)O)cc(Br)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
APOBEC3A P31941 1/20 0.49
HTT P42858 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42

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
SCHEMBL8115552 0.86 MAPT (0.56) MAPTL3MBTL1MAPK1TUBB4ATUBB
SCHEMBL14495329 0.85 TSHR (0.47) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL1613430 0.80 MGAM (0.41) TSHRMAPTL3MBTL1HPGDNPSR1
SCHEMBL31063360 0.80 CA2 (0.38) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL571771 0.80 TSHR (0.54) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL571770 0.80 TSHR (0.54) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL11758295 0.79 MAPT (0.54) MAPTL3MBTL1ALDH1A1MAPK1TUBB4A
SCHEMBL6948270 0.78 CNR2 (0.55) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL24386160 0.78 MAPT (0.45) MAPTL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL5693703 0.78 ALDH1A1 (0.46) MAPTL3MBTL1ALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285774-B1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING YISSUM RES DEV CO (IL) 2015-02-25 EP disclosed
EP-2285774-B1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING YISSUM RES DEV CO (IL) 2015-02-25 EP disclosed
US-8637575-B2 Modulators of protein kinase signaling NOVOTYR THERAPEUTICS LTD. (IL) 2014-01-28 US disclosed
US-8637575-B2 Modulators of protein kinase signaling NOVOTYR THERAPEUTICS LTD. (IL) 2014-01-28 US disclosed
US-8536227-B2 2013-09-17 US disclosed
US-8536227-B2 2013-09-17 US disclosed
US-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2011-05-05 US disclosed
US-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2011-05-05 US disclosed
WO-2009147682-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2009-12-10 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-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING MAP3K20, MAP3K1, MAP3K6 TSHR 928/4885APOBEC3A 4741/4885HTT 3068/4885

“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.