SCHEMBL1389847

SCHEMBL1389847

Cc1cc(C(CC(c2ccc(-c3ccc(C(=O)O)cc3C)cc2)c2ccc(Cl)cc2F)=NO)ccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.61
▸ ADRB1 P08588 3/20 0.38
▸ ADRB3 P13945 3/20 0.38
▸ KDM4C Q9H3R0 3/20 0.38
▸ KDM5B Q9UGL1 2/20 0.38
▸ ADH5 P11766 2/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ RARB P10826 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ KDM5A P29375 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
SCHEMBL1389844 1.00 GPBAR1 (0.61) GPBAR1ADRB1ADRB3KDM4CKDM5B
SCHEMBL364258 1.00 GPBAR1 (0.61) GPBAR1ADRB1ADRB3KDM4CKDM5B
SCHEMBL362770 0.92 GPBAR1 (0.69) GPBAR1KDM4CKDM5BS1PR1S1PR3
SCHEMBL1389819 0.92 GPBAR1 (0.69) GPBAR1KDM4CKDM5BS1PR1S1PR3
SCHEMBL15949187 0.89 GPBAR1 (0.51) GPBAR1KDM4CKDM5BAKR1C3AKR1C2
SCHEMBL15949162 0.85 GPBAR1 (0.53) GPBAR1KMOCTSA
SCHEMBL364252 0.85 GPBAR1 (0.58) GPBAR1ADRB1ADRB3KDM4CKMO
SCHEMBL1389974 0.85 GPBAR1 (0.58) GPBAR1ADRB1ADRB3KDM4CKMO
SCHEMBL1390482 0.85 GPBAR1 (0.58) GPBAR1ADRB1ADRB3KDM4CKMO
SCHEMBL1390008 0.85 GPBAR1 (0.58) GPBAR1ADRB1ADRB3KDM4CRARB

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 1/4885ADRB1 3/4885ADRB3 15/4885

“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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