SCHEMBL636993

SCHEMBL636993

CCOC(=O)/C=C(\NC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MDM2 Q00987 2/20 0.41
MDM4 O15151 1/20 0.41
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
GALK1 P51570 1/20 0.40
CCR6 P51684 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL13662396 1.00 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL9487635 0.87 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL9488596 0.86 KDM4E (0.46) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL629505 0.84 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL1273130 0.84 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL629506 0.84 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL187459 0.84 SRC (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL5142053 0.84 SRC (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL14247549 0.84 SRC (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL3858960 0.82 GAA (0.51) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-8691718-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-7589215-B2 Bisphosphines as bidentate ligands DEGUSSA AG (DE) 2009-09-15 US disclosed
US-7361786-B2 Bisphosphines as bidentate ligands DEGUSSA AG (DE) 2008-04-22 US disclosed
US-20070179301-A1 BISPHOSPHINES AS BIDENTATE LIGANDS DEGUSSA AG (DE) 2007-08-02 US disclosed
US-20070123733-A1 BISPHOSPHINES AS BIDENTATE LIGANDS DEGUSSA AG (DE) 2007-05-31 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 (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-20070123733-A1 BISPHOSPHINES AS BIDENTATE LIGANDS BPGM, SOST, BMP2 MAPT 4657/4885SMN1; SMN2 4786/4885ALDH1A1 2699/4885
US-20070179301-A1 BISPHOSPHINES AS BIDENTATE LIGANDS BPGM, SOST, BMP2 MAPT 4657/4885SMN1; SMN2 4786/4885ALDH1A1 2699/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S MAPT 4851/4885SMN1; SMN2 4797/4885ALDH1A1 1165/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S MAPT 4851/4885SMN1; SMN2 4797/4885ALDH1A1 1165/4885

“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.