SCHEMBL1390551

SCHEMBL1390551

CCC(C)OC(=O)C(C(=O)O)c1ccc([C@H](CC(=O)c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.51
▸ NR3C2 P08235 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSA P10619 6/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MGAM O43451 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ SI P14410 2/20 0.33
▸ MGAM2 Q2M2H8 2/20 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
SCHEMBL1390385 0.90 GPBAR1 (0.65) GPBAR1NR3C2CTSAMAPT
SCHEMBL362868 0.86 GPBAR1 (0.56) GPBAR1NR3C2MEN1NPC1KMT2A
SCHEMBL1390422 0.84 GPBAR1 (0.57) GPBAR1NR3C2NPC1KMT2ACTSA
SCHEMBL1390420 0.84 GPBAR1 (0.57) GPBAR1NR3C2NPC1KMT2ACTSA
SCHEMBL1390447 0.83 GPBAR1 (0.62) GPBAR1NR3C2MEN1KMT2ACTSA
SCHEMBL1390446 0.83 GPBAR1 (0.62) GPBAR1NR3C2MEN1KMT2ACTSA
SCHEMBL1390536 0.81 GPBAR1 (0.60) GPBAR1NR3C2MEN1KMT2ACTSA
SCHEMBL364037 0.81 GPBAR1 (0.72) GPBAR1NR3C2CTSAMGAMGAA
SCHEMBL1390535 0.81 GPBAR1 (0.60) GPBAR1NR3C2MEN1KMT2ACTSA
SCHEMBL363087 0.81 GPBAR1 (0.72) GPBAR1NR3C2CTSAMGAMGAA

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 3 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
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 1/4885NR3C2 232/4885MEN1 1315/4885

“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.

Send feedback