SCHEMBL5197853

SCHEMBL5197853

CC(F)CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 6/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL5194626 0.84 TSHR (0.55) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL633284 0.83 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2026026 0.83 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9799560 0.83 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2026600 0.81 TSHR (0.61) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2949251 0.81 TSHR (0.61) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL5197224 0.80 TSHR (0.55) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL11455228 0.79 TSHR (0.59) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9017506 0.79 TSHR (0.64) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL5194705 0.79 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 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 (4 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC TSHR 3708/4885L3MBTL1 4559/4885MAPT 2906/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO TSHR 4059/4885L3MBTL1 4464/4885MAPT 3004/4885
US-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES TSHR 2859/4885L3MBTL1 3301/4885MAPT 4136/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC TSHR 3708/4885L3MBTL1 4559/4885MAPT 2906/4885

“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.