SCHEMBL4417328

SCHEMBL4417328

CC1(C)Cc2cc(Br)ccc2OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.37
AHR P35869 3/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
CTSD P07339 1/20 0.34
PBRM1 Q86U86 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP2 O95551 1/20 0.31
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL9006983 0.86 BACE1 (0.37) BACE1AHRBRD4LMNAMAPT
SCHEMBL5269029 0.81 MAPT (0.40) BACE1AHRBRD4LMNAMAPT
SCHEMBL31185052 0.81 MAPT (0.40) BACE1AHRBRD4LMNAMAPT
SCHEMBL433187 0.79 MAPT (0.45) MAPT
SCHEMBL9737788 0.76
SCHEMBL28877912 0.75 IRAK4 (0.35) AHRLMNAMAPTHTTBLM
SCHEMBL30785273 0.75 IRAK4 (0.35) AHRLMNAMAPTHTTBLM
SCHEMBL6909858 0.75 AKR1C1 (0.35) BACE1LMNAMAPTHTT
SCHEMBL13913065 0.73 PPARA (0.43) BACE1AHRBRD4LMNAPBRM1
SCHEMBL31515327 0.73 HDAC3 (0.43) HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 US 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-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB BACE1 4641/4885AHR 103/4885BRD4 1254/4885

“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.