SCHEMBL1390020

SCHEMBL1390020

COC(=O)C=Cc1ccc(C(CC(=O)c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ CTSA P10619 3/20 0.36
▸ IP6K1 Q92551 1/20 0.36
▸ IP6K3 Q96PC2 1/20 0.36
▸ IP6K2 Q9UHH9 1/20 0.36

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
SCHEMBL1390017 1.00 GPBAR1 (0.52) GPBAR1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL1390033 0.90 GPBAR1 (0.55) GPBAR1KDM4ENR3C2CTSARECQL
SCHEMBL1390034 0.90 GPBAR1 (0.55) GPBAR1KDM4ENR3C2CTSARECQL
SCHEMBL364811 0.84 GPBAR1 (0.59) GPBAR1KDM4ESMN1; SMN2MAPTNR3C2
SCHEMBL1390446 0.84 GPBAR1 (0.62) GPBAR1KMT2ANR3C2CTSA
SCHEMBL1390447 0.84 GPBAR1 (0.62) GPBAR1KMT2ANR3C2CTSA
SCHEMBL1390535 0.82 GPBAR1 (0.60) GPBAR1KMT2ANR3C2CTSA
SCHEMBL1390536 0.82 GPBAR1 (0.60) GPBAR1KMT2ANR3C2CTSA
SCHEMBL364037 0.82 GPBAR1 (0.72) GPBAR1NR3C2CTSA
SCHEMBL363087 0.82 GPBAR1 (0.72) GPBAR1NR3C2CTSA

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 1/4885KDM4E 4298/4885KMT2A 3981/4885

“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.

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