SCHEMBL369362

SCHEMBL369362

COc1ccc(CC(=O)C(c2ccc(Br)cc2)C2CCCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.43
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.37
ACKR3 P25106 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
C3AR1 Q16581 1/20 0.36
ACACB O00763 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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 0.99 GPR183 (0.44) GPR183PTGS2SMN1; SMN2KCNH2ACACB
SCHEMBL369669 0.97 GPR183 (0.44) GPR183PTGS2SMN1; SMN2KCNH2ACACB
SCHEMBL1390360 0.83 GPR183 (0.38) GPR183PTGS2ACKR3ACACB
SCHEMBL369245 0.78 SMN1; SMN2 (0.40) PTGS2SMN1; SMN2ACKR3MEN1KMT2A
SCHEMBL368252 0.76 GPR183 (0.41) GPR183SMN1; SMN2KCNH2MEN1KMT2A
SCHEMBL369699 0.76 GPR183 (0.41) GPR183SMN1; SMN2KCNH2MEN1KMT2A
SCHEMBL369190 0.75 GPR183 (0.41) GPR183SMN1; SMN2KCNH2MEN1KMT2A
SCHEMBL1390389 0.74 GPR183 (0.43) GPR183KCNH2ACKR3ALDH1A1
SCHEMBL1390305 0.74 GPR183 (0.40) GPR183SMN1; SMN2MEN1KMT2AACACB
SCHEMBL370520 0.73 GPR183 (0.44) GPR183PTGS2KCNH2ACKR3ALDH1A1

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 259/4885SMN1; SMN2 2264/4885

“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.