SCHEMBL2196341

SCHEMBL2196341

COc1ccc(COc2ccc(C)c(C=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
TUBB1 Q9H4B7 1/20 0.55
MEN1 O00255 1/20 0.54
CASP3 P42574 1/20 0.54
KMT2A Q03164 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MAOB P27338 3/20 0.49
APP P05067 5/20 0.49
MAOA P21397 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
SMPD1 P17405 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL16319302 0.86 MAOB (0.56) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL7147744 0.85 TUBB1 (0.66) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL28611584 0.85 TUBB1 (0.74) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL4706617 0.84 NPC1 (0.59) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL5885604 0.82 ALDH1A1 (0.68) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL31166996 0.82 TRIM24 (0.71) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL21370452 0.82 NPC1 (0.61) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL14102978 0.82 NPC1 (0.61) NPC1RAB9ATDP1TUBB1MEN1
SCHEMBL2505574 0.82 ERN1 (0.63) ALDH1A1LMNAMAPTHPGD
SCHEMBL29957330 0.82 ERN1 (0.63) ALDH1A1LMNAMAPTHPGD

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-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 NPC1 2170/4885RAB9A 1123/4885TDP1 2935/4885

“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.