SCHEMBL7203018

SCHEMBL7203018

C=CC(F)CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 6/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 1/20 0.45
GSK3B P49841 2/20 0.44
PTPN1 P18031 2/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL13280819 0.79 MAOA (0.41) L3MBTL1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1414563 0.79 TSHR (0.55) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL633284 0.78 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL19346894 0.78 L3MBTL1 (0.56) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL11762210 0.78 TSHR (0.53) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2405059 0.78 TSHR (0.53) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL7882975 0.78 TSHR (0.53) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL11088941 0.76 ALDH1A1 (0.53) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL10587782 0.75 TSHR (0.50) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL5158714 0.75 TSHR (0.59) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110939-B1 Process for the preparation of poly(fluoroalkyl)-acetophenones BAYER AG (DE) 2003-09-10 EP disclosed
US-6410796-B2 PREPARING A DIAZONIUM SALT MIXTURE FROM THE FLUOROALKYL ANILINE COMPOUND, REACTING DIAZONIUM SALT MIXTURE WITH ACETALDOXIME IN PRESENCE OF HALIDE IONS, ATLEAST OTHER STRONG ACID, AND A COPPER AND/OR PALLADIUM COMPOUND, FREE OF BUFFER BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6410796-B2 PREPARING A DIAZONIUM SALT MIXTURE FROM THE FLUOROALKYL ANILINE COMPOUND, REACTING DIAZONIUM SALT MIXTURE WITH ACETALDOXIME IN PRESENCE OF HALIDE IONS, ATLEAST OTHER STRONG ACID, AND A COPPER AND/OR PALLADIUM COMPOUND, FREE OF BUFFER BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
EP-1110939-A3 Process for the preparation of poly(fluoroalkyl)-acetophenones BAYER AG (DE) 2002-01-30 EP disclosed
US-20010005767-A1 Process for the preparation of poly(fluoroalkyl)acetophenones LANXESS DEUTSCHLAND GMBH (DE) 2001-06-28 US disclosed
US-20010005767-A1 Process for the preparation of poly(fluoroalkyl)acetophenones LANXESS DEUTSCHLAND GMBH (DE) 2001-06-28 US disclosed
EP-1110939-A2 Process for the preparation of poly(fluoroalkyl)-acetophenones BAYER AG (DE) 2001-06-27 EP 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-20010005767-A1 Process for the preparation of poly(fluoroalkyl)acetophenones DDT, DDC, AGPS TSHR 3741/4885L3MBTL1 4563/4885MAPT 3928/4885

“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.