SCHEMBL369190

SCHEMBL369190

C=CCC(C(=O)Cc1ccc(OC)nc1)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.41
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 1/20 0.36
LSS P48449 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
PKM P14618 2/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MET P08581 1/20 0.35
ALOX12 P18054 1/20 0.35
NNMT P40261 1/20 0.35
ACACB O00763 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 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 0.85 GPR183 (0.41) GPR183ALDH1A1KCNH2MEN1KMT2A
SCHEMBL368252 0.85 GPR183 (0.41) GPR183ALDH1A1KCNH2MEN1KMT2A
SCHEMBL1390305 0.83 GPR183 (0.40) GPR183ALDH1A1MEN1KMT2ALMNA
SCHEMBL1390168 0.81 GPR183 (0.38) GPR183ALDH1A1KCNH2MEN1KMT2A
SCHEMBL369728 0.76 GPR183 (0.44) GPR183ALDH1A1KCNH2SMN1; SMN2HTT
SCHEMBL369669 0.76 GPR183 (0.44) GPR183ALDH1A1KCNH2SMN1; SMN2HTT
SCHEMBL369362 0.75 GPR183 (0.43) GPR183ALDH1A1KCNH2MEN1KMT2A
SCHEMBL368592 0.74 HDAC4 (0.43) GPR183ALDH1A1MEN1KMT2ALMNA
SCHEMBL369863 0.74 SMN1; SMN2 (0.40) GPR183ALDH1A1MEN1KMT2ALMNA
SCHEMBL368380 0.73 GPR183 (0.38) GPR183ALDH1A1KCNH2MEN1KMT2A

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 132/4885KCNH2 1276/4885

“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.