SCHEMBL2749031

SCHEMBL2749031

CC(C)(C)OC(=O)COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 4/20 0.64
TP53 P04637 4/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 4/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP3A4 P08684 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
AKR1B10 O60218 2/20 0.64
LMNA P02545 2/20 0.64
CYP19A1 P11511 2/20 0.64
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64

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
SCHEMBL2750303 0.95 MEN1 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2750555 0.91 ALDH2 (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10119567 0.85 MEN1 (0.69) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16473743 0.84 ACHE (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7565407 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13492287 0.79 NPC1 (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16460017 0.79 ALDH2 (0.71) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Biochanin SCHEMBL61258 0.79 RAB9A (1.00) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Biochanin SCHEMBL29410271 0.79 RAB9A (1.00) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7588164 0.78 MEN1 (0.72) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623910-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2014-01-07 US claimed
US-8178609-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2012-05-15 US claimed
US-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2014-04-17 US disclosed
US-8623910-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2014-01-07 US disclosed
US-8623910-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2014-01-07 US disclosed
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2013-01-31 US disclosed
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2013-01-31 US disclosed
US-20120190642-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2012-07-26 US disclosed
US-8178609-B2 Isoflavones for treating mucopolysaccharidoses INSTYTUT FARMACEUTYCZNY (PL) 2012-05-15 US disclosed
US-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2012-04-05 US disclosed
US-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2012-04-05 US disclosed
US-8071575-B2 Methods and compounds for the targeted delivery of agents to bone for interaction therewith UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2011-12-06 US disclosed
US-8071575-B2 Methods and compounds for the targeted delivery of agents to bone for interaction therewith UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2011-12-06 US disclosed
US-20090118164-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2009-05-07 US disclosed
US-20090118164-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2009-05-07 US disclosed
US-20090062380-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2009-03-05 US disclosed
WO-2008103951-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC (US) 2008-08-28 WO 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-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 MEN1 1822/4885KMT2A 3983/4885SMN1; SMN2 3404/4885
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 MEN1 1822/4885KMT2A 3983/4885SMN1; SMN2 3404/4885
US-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, MAN2B1, IDUA MEN1 1704/4885KMT2A 1912/4885SMN1; SMN2 22/4885
US-20090062380-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, IDUA, MAN2B1 MEN1 3227/4885KMT2A 1810/4885SMN1; SMN2 437/4885
US-20120190642-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, MAN2B1, IDUA MEN1 1721/4885KMT2A 1734/4885SMN1; SMN2 21/4885
US-20090118164-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 MEN1 1822/4885KMT2A 3983/4885SMN1; SMN2 3404/4885

“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.