SCHEMBL1839983

SCHEMBL1839983

CC(=O)OCCCCCC1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.46
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
ASAH1 Q13510 1/20 0.40
ACP1 P24666 1/20 0.39
LMNA P02545 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5234710 0.98 NAAA (0.44) NAAAKMT2AEPHX1ASAH1ACP1
SCHEMBL5237250 0.94 KMT2A (0.43) NAAAKMT2AEPHX1ACP1CPN1
SCHEMBL29068162 0.88 KMT2A (0.46) NAAAKMT2AEPHX1ACP1LMNA
SCHEMBL9732440 0.88 KMT2A (0.46) NAAAKMT2AEPHX1ACP1LMNA
SCHEMBL5237332 0.85 CHRNB2 (0.41) NAAAKMT2AEPHX1ACP1LMNA
SCHEMBL28759836 0.83 EPHX1 (0.43) NAAAKMT2AEPHX1ASAH1
SCHEMBL5232032 0.82 CHRNB2 (0.41) NAAAKMT2AEPHX1ACP1LMNA
SCHEMBL8893237 0.81 EPHX1 (0.59) NAAAEPHX1ASAH1LMNAAPOBEC3A
SCHEMBL14403742 0.80 HRH3 (0.42) NAAAKMT2AACP1CPN1CPB2
SCHEMBL10263186 0.79 EPHX1 (0.61) NAAAEPHX1ASAH1

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
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
CN-104530048-B Adenine derivatives 葛兰素史密丝克莱恩有限责任公司 2016-09-14 CN disclosed
CN-104530048-A Novel adenine derivatives GLAXOSMITHKLINE LLC 2015-04-22 CN disclosed
CN-102176911-B Novel adenine derivatives GLAXOSMITHKLINE LLC 2014-12-10 CN disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-8563717-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2013-10-22 US disclosed
CN-102176911-A Novel adenine derivatives GLAXOSMITHKLINE LLC 2011-09-07 CN disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
EP-2320905-A1 NOVEL ADENINE DERIVATIVES Smithkline Beecham Corporation (US) 2011-05-18 EP disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (2 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-20110144136-A1 NOVEL ADENINE DERIVATIVES STING1, IFNG, IFNAR1 NAAA 567/4885KMT2A 3754/4885EPHX1 523/4885
US-20140024664-A1 NOVEL ADENINE DERIVATIVES IFNAR1, STING1, IFNG NAAA 510/4885KMT2A 3247/4885EPHX1 489/4885

“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.