SCHEMBL10177655

SCHEMBL10177655

COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
SLC6A11 P48066 4/20 0.39
SLC6A1 P30531 2/20 0.39
NAMPT P43490 2/20 0.38
DPP4 P27487 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL14978137 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP9MMP13
SCHEMBL9908643 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP9MMP13
SCHEMBL16393116 0.91 HDAC1 (0.38) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL31534289 0.91 HDAC1 (0.38) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL10177664 0.91 HDAC6 (0.40) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL14977891 0.90 SLC6A11 (0.42) SLC6A11SLC6A1MEN1TP53CYP1A2
SCHEMBL10177713 0.90 HDAC6 (0.39) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL30209495 0.90 HDAC6 (0.41) HDAC6SLC6A11SLC6A1NAMPTSMN1; SMN2
SCHEMBL24383289 0.90 SLC6A11 (0.41) SLC6A11SLC6A1MEN1TP53CYP1A2
SCHEMBL9604443 0.90 SLC6A11 (0.41) SLC6A11SLC6A1MEN1TP53CYP1A2

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-9370581-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-9370582-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-9352048-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9290760-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
US-20150119445-A1 Carbohydrate Conjugates as Delivery Agents for Oligonucleotides BANK OF AMERICA, N.A. 2015-04-30 US disclosed
US-20150119444-A1 Carbohydrate Conjugates as Delivery Agents for Oligonucleotides BANK OF AMERICA, N.A. 2015-04-30 US disclosed
US-20150011615-A1 Carbohydrate Conjugates as Delivery Agents for Oligonucleotides BANK OF AMERICA, N.A. 2015-01-08 US disclosed
US-8828956-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130178512-A1 CARBOHYDRATE CONJUGATES AS DELIVERY AGENTS FOR OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC (US) 2013-07-11 US disclosed
US-20120136042-A1 CARBOHYDRATE CONJUGATES AS DELIVERY AGENTS FOR OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC (US) 2012-05-31 US disclosed
US-8106022-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106022-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2012-01-31 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 (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-20130178512-A1 CARBOHYDRATE CONJUGATES AS DELIVERY AGENTS FOR OLIGONUCLEOTIDES LPXN, ZYX, OSTC MMP2 2518/4885MMP3 3880/4885MMP7 3436/4885
US-20150119445-A1 Carbohydrate Conjugates as Delivery Agents for Oligonucleotides LPXN, ZYX, OSTC MMP2 2636/4885MMP3 3962/4885MMP7 3398/4885
US-20150011615-A1 Carbohydrate Conjugates as Delivery Agents for Oligonucleotides LPXN, ZYX, OSTC MMP2 2485/4885MMP3 3838/4885MMP7 3400/4885
US-20150119444-A1 Carbohydrate Conjugates as Delivery Agents for Oligonucleotides LPXN, ZYX, OSTC MMP2 2485/4885MMP3 3838/4885MMP7 3400/4885
US-20120136042-A1 CARBOHYDRATE CONJUGATES AS DELIVERY AGENTS FOR OLIGONUCLEOTIDES LPXN, ZYX, OSTC MMP2 2518/4885MMP3 3880/4885MMP7 3436/4885

“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.