SCHEMBL1376852

SCHEMBL1376852

CC(C)c1c(C(C2=C(O)C(C(C)C)NC2=O)c2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
MAP2 P11137 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
FLT3 P36888 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
SCHEMBL1379227 0.89 MLKL (0.41) HTR2AHTR2CKDM4EALDH1A1GLA
SCHEMBL4499201 0.79 MEN1 (0.38) ALDH1A1CNR1MEN1KMT2ALMNA
SCHEMBL1379087 0.78 DAO (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4499087 0.73 CYP19A1 (0.42) KDM4EALDH1A1HTTTP53HSD17B10
SCHEMBL4490551 0.72 MTNR1A (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4510000 0.71 MTNR1A (0.52) KDM4EMEN1KMT2AHPGDHSD17B10
SCHEMBL1378002 0.71 MLKL (0.39) HTR2AHTR2CKDM4EALDH1A1GLA
SCHEMBL4498277 0.69 MTNR1A (0.61) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4498964 0.69 MTNR1A (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL8230415 0.69 CYP19A1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824092-B2 2011-11-24 JP claimed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US claimed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US claimed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 HTR2A 2869/4885HTR2C 3384/4885KDM4E 1758/4885

“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.