SCHEMBL6915959

SCHEMBL6915959

O=C(O)C[C@@H](c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.69
GABBR2 O75899 3/20 0.51
GABBR1 Q9UBS5 3/20 0.51
CYP2C9 P11712 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD3 P35462 1/20 0.51
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL6914052 1.00 FFAR1 (0.69) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL4249915 0.93 FFAR1 (0.60) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL20902118 0.89 FFAR1 (0.56) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL18603480 0.87 FFAR1 (0.55) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL18603481 0.87 FFAR1 (0.55) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL17086508 0.87 FFAR1 (0.55) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL22088139 0.87 FFAR1 (0.54) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL12836112 0.85 FFAR1 (0.50) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL17761361 0.85 FFAR1 (0.50) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL17761387 0.85 FFAR1 (0.50) FFAR1GABBR2GABBR1CYP2C9MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770463-B2 INSECTICIDES AND ACARICIDES; AROMATIC SUBSTITUTED HALOALKENES BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US claimed
EP-1307418-A2 PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP claimed
US-20020032351-A1 Process for the preparation of chiral isofluoroenes BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 US claimed
WO-2002012155-A2 PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES BASF AKTIENGESELLSCHAFT (DE) 2002-02-14 WO claimed
US-6770463-B2 INSECTICIDES AND ACARICIDES; AROMATIC SUBSTITUTED HALOALKENES BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
EP-1307418-A2 PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
US-20020032351-A1 Process for the preparation of chiral isofluoroenes BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 US disclosed
WO-2002012155-A2 PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES BASF AKTIENGESELLSCHAFT (DE) 2002-02-14 WO 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-20020032351-A1 Process for the preparation of chiral isofluoroenes CYP51A1, CYP4F11, CYP2F1 FFAR1 1090/4885GABBR2 3894/4885GABBR1 3743/4885

“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.