SCHEMBL7708402

SCHEMBL7708402

COc1ccc(Br)c(OCCO)c1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30171329 0.79 CA2 (0.50) TUBB1TSHRMAPTALDH1A1HTT
SCHEMBL772484 0.79 CA2 (0.50) TUBB1TSHRMAPTALDH1A1HTT
SCHEMBL14736781 0.79 TUBB1 (0.40) TUBB1L3MBTL1HPGDLMNAMAPT
SCHEMBL21823680 0.77 ALDH1A1 (0.50) TUBB1L3MBTL1HPGDLMNAMAPT
SCHEMBL31096135 0.77 ALDH1A1 (0.50) TUBB1L3MBTL1HPGDLMNAMAPT
SCHEMBL7708392 0.77 MCHR1 (0.39) TUBB1L3MBTL1TSHRHPGDLMNA
SCHEMBL16784832 0.77 ALOX15 (0.58) TSHRHPGDMAPTMAPK1SMN1; SMN2
SCHEMBL2590544 0.76 AOC3 (0.38) TUBB1L3MBTL1HPGDLMNAMAPT
SCHEMBL10661800 0.76 SMN1; SMN2 (0.73) L3MBTL1TSHRHPGDLMNAMAPT
SCHEMBL7710291 0.74 BRD4 (0.35) TUBB1L3MBTL1HPGDLMNAMAPT

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
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A TUBB1 2787/4885L3MBTL1 1456/4885TSHR 2208/4885

“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.