SCHEMBL368252

SCHEMBL368252

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.41
ALDH1A1 P00352 1/20 0.41
ACACB O00763 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
OXTR P30559 1/20 0.36
MME P08473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NNMT P40261 1/20 0.35
MET P08581 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL369699 0.86 GPR183 (0.41) GPR183ALDH1A1ACACBMEN1KMT2A
SCHEMBL369190 0.85 GPR183 (0.41) GPR183ALDH1A1ACACBMEN1KMT2A
SCHEMBL1390305 0.84 GPR183 (0.40) GPR183ALDH1A1ACACBMEN1KMT2A
SCHEMBL1390168 0.81 GPR183 (0.38) GPR183ALDH1A1ACACBMEN1KMT2A
SCHEMBL369728 0.76 GPR183 (0.44) GPR183ALDH1A1ACACBSMN1; SMN2KCNH2
SCHEMBL369669 0.76 GPR183 (0.44) GPR183ALDH1A1ACACBSMN1; SMN2KCNH2
SCHEMBL369362 0.76 GPR183 (0.43) GPR183ALDH1A1ACACBMEN1KMT2A
SCHEMBL369863 0.75 SMN1; SMN2 (0.40) GPR183ALDH1A1MEN1KMT2ANPC1
SCHEMBL368592 0.75 HDAC4 (0.43) GPR183ALDH1A1MEN1KMT2ANPC1
SCHEMBL368380 0.74 GPR183 (0.38) GPR183ALDH1A1ACACBMEN1KMT2A

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 80/4885ALDH1A1 132/4885ACACB 3904/4885

“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.