SCHEMBL1926799

SCHEMBL1926799

O=C(OCCCBr)c1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.63
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SGMS2 Q8NHU3 2/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ PPIA P62937 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ FOLH1 Q04609 1/20 0.47

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
SCHEMBL29162756 0.86 HTT (0.63) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL28082064 0.84 HTT (0.68) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL10812457 0.84 TSHR (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8586434 0.84 ALDH1A1 (0.67) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4415350 0.84 HTT (0.75) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL9574717 0.82 HTT (0.73) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL340937 0.80 HTT (0.69) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL29687865 0.79 ALDH1A1 (0.65) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4221058 0.78 HTR1A (0.56) MAPK1TDP1L3MBTL1KDM4E
SCHEMBL14430331 0.77 HTT (0.66) HTTMEN1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2012-07-26 — — US disclosed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 — — EP disclosed
US-8163958-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2012-04-24 — — US disclosed
US-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-08-18 — — US disclosed
US-7956212-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2011-06-07 — — US 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-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 (6 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-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC HTT 648/4885MEN1 1821/4885KMT2A 1568/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC HTT 648/4885MEN1 1821/4885KMT2A 1568/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC HTT 648/4885MEN1 1821/4885KMT2A 1568/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC HTT 648/4885MEN1 1821/4885KMT2A 1568/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC HTT 648/4885MEN1 1821/4885KMT2A 1568/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC HTT 648/4885MEN1 1821/4885KMT2A 1568/4885

“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.

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