SCHEMBL12413853

SCHEMBL12413853

CC(C)c1cc(F)c(C=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.38
TYR P14679 2/20 0.37
ERN1 O75460 5/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTPN1 P18031 1/20 0.30
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL25534375 0.84 TYR (0.38) EIF4A3TYRERN1ALDH1A1SMN1; SMN2
SCHEMBL18319085 0.82 ALDH1A1 (0.35) TYRERN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL12173270 0.81 EIF4A3 (0.42) EIF4A3FABP3FABP4TSHR
SCHEMBL13652480 0.80 TDP1 (0.34) EIF4A3TYRERN1ALDH1A1SMN1; SMN2
SCHEMBL248719 0.78 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1911426 0.76 EIF4A3 (0.40) EIF4A3FABP3FABP4TSHR
SCHEMBL18379738 0.76 EIF4A3 (0.40) EIF4A3FABP3FABP4TSHR
SCHEMBL22302453 0.74 TYR (0.43) TYRERN1ALDH1A1SMN1; SMN2FABP3
SCHEMBL150019 0.73 ERN1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL13319560 0.73 EIF4A3 (0.41) EIF4A3FABP3FABP4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 EIF4A3 2623/4885TYR 1759/4885ERN1 3097/4885

“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.