SCHEMBL368510

SCHEMBL368510

ON=C(CC(c1ccccc1)c1ccc(C2CC2)cc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.64
TRPV6 Q9H1D0 2/20 0.40
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 1/20 0.36
CCR5 P51681 1/20 0.35
PRCP P42785 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKG1 Q13976 1/20 0.33

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
SCHEMBL368509 1.00 GPBAR1 (0.64) GPBAR1TRPV6KDM4ERECQLEPHX2
SCHEMBL363733 1.00 GPBAR1 (0.64) GPBAR1TRPV6KDM4ERECQLEPHX2
SCHEMBL363952 0.86 GPBAR1 (0.76) GPBAR1KDM4EEPHX2SLC6A2SLC6A4
SCHEMBL368448 0.86 GPBAR1 (0.76) GPBAR1KDM4EEPHX2SLC6A2SLC6A4
SCHEMBL368449 0.86 GPBAR1 (0.76) GPBAR1KDM4EEPHX2SLC6A2SLC6A4
SCHEMBL15949064 0.82 TRPV6 (0.52) GPBAR1TRPV6KDM4ERECQLEPHX2
SCHEMBL368976 0.81 GPBAR1 (0.70) GPBAR1KDM4EEPHX2SLC6A2SLC6A4
SCHEMBL368975 0.81 GPBAR1 (0.70) GPBAR1KDM4EEPHX2SLC6A2SLC6A4
SCHEMBL368974 0.81 GPBAR1 (0.70) GPBAR1KDM4EEPHX2SLC6A2SLC6A4
SCHEMBL364631 0.78 GPBAR1 (1.00) GPBAR1KDM4EEPHX2CCR5SLC6A3

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 6 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 claimed
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 GPBAR1 1/4885TRPV6 1036/4885KDM4E 4298/4885

“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.