SCHEMBL1389833

SCHEMBL1389833

Cc1cc(C(CC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C(F)(F)F)=NO)ccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.78
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
EPHX2 P34913 2/20 0.37
WNT3A P56704 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RORC P51449 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
CTSA P10619 1/20 0.34
PLK1 P53350 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 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
SCHEMBL361985 1.00 GPBAR1 (0.78) GPBAR1AKR1C3AKR1C2EPHX2WNT3A
SCHEMBL1390122 0.90 GPBAR1 (0.63) GPBAR1WNT3ARORCPLK1PSEN1
SCHEMBL362778 0.90 GPBAR1 (0.63) GPBAR1WNT3ARORCPLK1PSEN1
SCHEMBL15949107 0.90 GPBAR1 (0.63) GPBAR1WNT3ACTSAPLK1PSEN1
SCHEMBL364106 0.89 GPBAR1 (0.60) GPBAR1AKR1C3AKR1C2EPHX2WNT3A
SCHEMBL365420 0.89 GPBAR1 (0.61) GPBAR1RORCSYK
SCHEMBL1389867 0.89 GPBAR1 (0.61) GPBAR1RORCSYK
SCHEMBL1389870 0.89 GPBAR1 (0.61) GPBAR1RORCSYK
SCHEMBL364261 0.88 GPBAR1 (1.00) GPBAR1WNT3ARXRARXRBCTSA
SCHEMBL364009 0.88 GPBAR1 (1.00) GPBAR1WNT3ARXRARXRBCTSA

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 1/4885AKR1C3 225/4885AKR1C2 290/4885

“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.