SCHEMBL1389680

SCHEMBL1389680

Cn1cc(C(CC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2Cl)=NO)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.51
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HTT P42858 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
LTC4S Q16873 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1389678 1.00 GPBAR1 (0.51) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL15949256 0.90 GPBAR1 (0.41) GPBAR1BRD4MEN1KMT2AHTT
SCHEMBL369149 0.90 GPBAR1 (0.42) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL369151 0.90 GPBAR1 (0.42) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL369150 0.90 GPBAR1 (0.42) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1389797 0.89 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1389586 0.89 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1389804 0.89 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL371106 0.89 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1389808 0.89 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A

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 6 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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US claimed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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 1/4885BRD4 3540/4885CREBBP 2198/4885

“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.