SCHEMBL6036899

SCHEMBL6036899

NCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
EPHX2 P34913 1/20 0.49
TLR2 O60603 3/20 0.48
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
TLR1 Q15399 1/20 0.42
CASP3 P42574 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
DOT1L Q8TEK3 1/20 0.41

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
SCHEMBL29962871 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL31031947 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL31164312 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL15160677 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL31164313 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL16379393 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL31164311 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL15155687 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL15160681 1.00 KMT2A (0.75) KMT2AEPHX2TLR2FABP7FABP5
Ammonia Solution, Strong SCHEMBL4536970 0.99 KMT2A (0.73) KMT2AEPHX2TLR2FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045567-B Phosphatase recruitment chimera (PHORCs) compound based on protein phosphatase 5, preparation method and medical application thereof 中国药科大学 2023-01-31 CN disclosed
CN-113045567-A Phosphatase recruitment chimera (PHORCs) compound based on protein phosphatase 5, preparation method and medical application thereof 中国药科大学 2021-06-29 CN disclosed
CN-108770357-A Polymer combined vaccine 芝加哥大学 2018-11-06 CN disclosed
US-10023861-B2 Oligomer-conjugate complexes and their use IONIS PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
US-9790253-B2 OSW-1 analogs and conjugates, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-17 US disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
US-20140135279-A1 OSW-1 ANALOGS AND CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-15 US disclosed
EP-2710024-A2 OSW-1 ANALOGS AND CONJUGATES, AND USES THEREOF President and Fellows of Harvard College (US) 2014-03-26 EP disclosed
WO-2013116682-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2013-08-08 WO disclosed
WO-2012159027-A2 OSW-1 ANALOGS AND CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-22 WO disclosed
US-20120196989-A1 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-08-02 US disclosed
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers INTEZYNE TECHNOLOGIES, INC. 2011-05-26 US disclosed
US-20060246438-A1 Methods for the chemical and physical modification of nanotubes, methods for linking the nanotubes, methods for the directed positioning of nanotubes, and uses thereof COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2006-11-02 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 KMT2A 3399/4885EPHX2 1747/4885TLR2 456/4885
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers PARG, PCNA, PARN KMT2A 3554/4885EPHX2 428/4885TLR2 1443/4885
US-20140135279-A1 OSW-1 ANALOGS AND CONJUGATES, AND USES THEREOF OSBP, OSBP2, OSBPL3 KMT2A 3951/4885EPHX2 1934/4885TLR2 3511/4885
US-10023861-B2 Oligomer-conjugate complexes and their use DCLRE1B, NT5C3B, PAICS KMT2A 1842/4885EPHX2 1284/4885TLR2 2370/4885

“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.