SCHEMBL731067

SCHEMBL731067

COc1c[c]cc(OC)c1-c1ccc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BRD4 O60885 1/20 0.47
NPC1 O15118 2/20 0.46
EGFR P00533 1/20 0.45
HCRTR1 O43613 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44

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
SCHEMBL16720146 0.79 MEN1 (0.44) PRKCQMEN1KMT2ABRD4TLR8
SCHEMBL731092 0.78 NPC1 (0.49) PRKCQMEN1KMT2ABRD4NPC1
SCHEMBL4339872 0.78 MAP3K11 (0.63) PRKCQMEN1KMT2ANPC1EGFR
SCHEMBL733118 0.77 DYRK3 (0.48) PRKCQMEN1KMT2ABRD4NPC1
SCHEMBL27074766 0.74 NPC1 (0.51) PRKCQMEN1KMT2ANPC1EGFR
SCHEMBL30729100 0.74 NPC1 (0.51) PRKCQMEN1KMT2ANPC1EGFR
SCHEMBL7088281 0.74 NPC1 (0.56) PRKCQMEN1KMT2ANPC1HCRTR1
SCHEMBL8801058 0.73 PDE4A (0.50) MEN1KMT2ANPC1RAB9A
SCHEMBL7089083 0.72 NPC1 (0.62) MEN1KMT2ANPC1HCRTR1CASP3
SCHEMBL2183291 0.72 NPC1 (0.53) BRD4NPC1MAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 PRKCQ 4456/4885MEN1 2567/4885KMT2A 3686/4885

“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.