SCHEMBL9906753

SCHEMBL9906753

CCOC(=O)CCNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR2 O60603 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL17089903 0.95 KMT2A (0.62) KMT2AEPHX2POLBCYP1A2TOP2A
SCHEMBL12878333 0.89 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7
Beta-Alanine SCHEMBL1883914 0.88 KMT2A (0.64) KMT2AEPHX2TLR2CYP1A2TOP2A
SCHEMBL20758998 0.86 KMT2A (0.74) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3140809 0.85 KMT2A (0.73) KMT2AEPHX2TLR2
SCHEMBL13525077 0.85 KMT2A (0.73) KMT2AEPHX2TLR2
SCHEMBL6187733 0.85 KMT2A (0.65) KMT2AEPHX2
SCHEMBL14008332 0.84 KMT2A (0.64) KMT2AEPHX2TLR2
SCHEMBL12620066 0.83 KMT2A (0.65) KMT2AEPHX2
SCHEMBL14490950 0.83 KMT2A (0.55) KMT2AEPHX2POLBTLR2CYP1A2

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-8198230-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-8198230-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-09-29 US disclosed
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-09-29 US disclosed
US-7956029-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-06-07 US disclosed
US-7956029-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-06-07 US disclosed
US-7947647-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-05-24 US disclosed
US-7947647-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-05-24 US disclosed
WO-2010071772-A2 SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 WO disclosed
US-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 US disclosed
US-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 US disclosed
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2010-02-04 US disclosed
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2010-02-04 US disclosed
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-08-06 US disclosed
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-08-06 US disclosed
US-7514400-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-04-07 US disclosed
US-7514400-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-04-07 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-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS NR1H4, LDLR, NR1H3 KMT2A 4399/4885HDAC3 3369/4885HDAC4 4274/4885
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 KMT2A 4116/4885HDAC3 3489/4885HDAC4 3976/4885
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 KMT2A 4116/4885HDAC3 3489/4885HDAC4 3976/4885
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 KMT2A 4116/4885HDAC3 3489/4885HDAC4 3976/4885

“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.