SCHEMBL369669

SCHEMBL369669

COc1ccc(CC(=O)C(c2ccc(Br)cc2)C2CCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.44
PTGS2 P35354 1/20 0.41
ADORA2A P29274 1/20 0.38
KCNH2 Q12809 1/20 0.37
ACACB O00763 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CCR5 P51681 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL369728 0.98 GPR183 (0.44) GPR183PTGS2ADORA2AKCNH2ACACB
SCHEMBL369362 0.97 GPR183 (0.43) GPR183PTGS2KCNH2ACACBALDH1A1
SCHEMBL1390360 0.82 GPR183 (0.38) GPR183PTGS2ADORA2AACACB
SCHEMBL369245 0.77 SMN1; SMN2 (0.40) PTGS2ACACBALDH1A1SMN1; SMN2HTT
SCHEMBL368252 0.76 GPR183 (0.41) GPR183KCNH2ACACBALDH1A1SMN1; SMN2
SCHEMBL369699 0.76 GPR183 (0.41) GPR183KCNH2ACACBALDH1A1SMN1; SMN2
SCHEMBL369190 0.76 GPR183 (0.41) GPR183KCNH2ACACBALDH1A1SMN1; SMN2
SCHEMBL1390305 0.75 GPR183 (0.40) GPR183ACACBALDH1A1SMN1; SMN2
SCHEMBL369181 0.74 GPR183 (0.44) GPR183KCNH2ALDH1A1
SCHEMBL369863 0.72 SMN1; SMN2 (0.40) GPR183ALDH1A1SMN1; SMN2HTT

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPR183 80/4885PTGS2 259/4885ADORA2A 432/4885

“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.