SCHEMBL3026422

SCHEMBL3026422

C[CH]COC(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
CASP3 P42574 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.45
MAPK1 P28482 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL2838297 0.86 KMT2A (0.49) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL2838301 0.86 KMT2A (0.49) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL2833266 0.82 TRPV1 (0.56) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL2834698 0.81 SNCA (0.58) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL1219383 0.81 LMNA (0.58) KMT2AADRB2ADRB1ADRB3KDM4E
Propene SCHEMBL27901997 0.79 KMT2A (0.65) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL62862 0.79 KMT2A (0.75) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL4570567 0.79 KMT2A (0.75) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL2582130 0.77 SNCA (0.54) KMT2AMEN1MAPTCASP3TRPV1
Hydrochloric Acid SCHEMBL28579442 0.77 KMT2A (0.73) KMT2AMEN1MAPTCASP3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP claimed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US claimed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US claimed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US claimed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US claimed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US claimed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US disclosed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US disclosed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
EP-1751087-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-02-14 EP disclosed
WO-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 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 (5 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-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC KMT2A 1568/4885MEN1 1821/4885MAPT 1341/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC KMT2A 1568/4885MEN1 1821/4885MAPT 1341/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC KMT2A 1568/4885MEN1 1821/4885MAPT 1341/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC KMT2A 1568/4885MEN1 1821/4885MAPT 1341/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 KMT2A 3239/4885MEN1 3433/4885MAPT 287/4885

“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.