SCHEMBL369245

SCHEMBL369245

COc1ccc(CC(=O)C(c2ccccc2Cl)C2CCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
PTGS2 P35354 1/20 0.40
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
FFAR2 O15552 1/20 0.38
ACKR3 P25106 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PSEN1 P49768 1/20 0.37

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
SCHEMBL1390332 0.91 FFAR2 (0.39) SMN1; SMN2PKMALDH1A1MAPTXBP1
SCHEMBL369728 0.79 GPR183 (0.44) SMN1; SMN2PTGS2ALDH1A1HTTACACB
SCHEMBL1390335 0.78 SMN1; SMN2 (0.43) SMN1; SMN2PKMALDH1A1MAPTXBP1
SCHEMBL1390360 0.78 GPR183 (0.38) PTGS2ACKR3ACACB
SCHEMBL369362 0.78 GPR183 (0.43) SMN1; SMN2PTGS2ALDH1A1ACKR3MEN1
SCHEMBL369669 0.77 GPR183 (0.44) SMN1; SMN2PTGS2ALDH1A1HTTACACB
SCHEMBL370019 0.75 FFAR2 (0.42) SMN1; SMN2ALDH1A1FFAR2ACKR3ACACB
SCHEMBL369863 0.75 SMN1; SMN2 (0.40) SMN1; SMN2PKMALDH1A1MAPTXBP1
SCHEMBL1390376 0.73 TAS2R14 (0.41) SMN1; SMN2PTGS2PKMALDH1A1MAPT
SCHEMBL11859597 0.71 SLC6A3 (0.61) KMT2A

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 SMN1; SMN2 2264/4885PTGS2 259/4885PKM 1994/4885

“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.