SCHEMBL1389585

SCHEMBL1389585

Cc1cc(/C(CC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)=N\O)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 1.00
CTSA P10619 6/20 0.39
NR3C2 P08235 1/20 0.38
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
WNT3A P56704 1/20 0.34
CHEK2 O96017 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
SCHEMBL364009 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL1389604 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL363223 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL1389589 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL364196 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL364261 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL10240955 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL362606 1.00 GPBAR1 (1.00) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL10240982 0.97 GPBAR1 (0.94) GPBAR1CTSANR3C2RXRARXRB
SCHEMBL363423 0.97 GPBAR1 (0.94) GPBAR1CTSANR3C2RXRARXRB

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 4 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
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 1/4885CTSA 3225/4885NR3C2 232/4885

“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.