SCHEMBL3609608

SCHEMBL3609608

O=CNCCCCC(O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.48
ADH1A P07327 5/20 0.48
ADH7 P40394 4/20 0.48
ADH1C P00326 4/20 0.48
ADH4 P08319 2/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL15241553 0.98 ADH1B (0.50) ADH1BADH1AADH7ADH1CADH4
SCHEMBL3605533 0.95
SCHEMBL3598306 0.84
SCHEMBL8068062 0.78 ADH1B (0.71) ADH1BADH1AADH7ADH1CADH4
SCHEMBL8186479 0.75 ADH1B (0.54) ADH1BADH1AADH7ADH1CADH4
SCHEMBL979732 0.74 ADH1B (0.72) ADH1BADH1AADH7ADH1CADH4
SCHEMBL11322360 0.74 ADH1B (0.72) ADH1BADH1AADH7ADH1CADH4
SCHEMBL8764004 0.74 ADH1B (0.72) ADH1BADH1AADH7ADH1CADH4
SCHEMBL8763225 0.74
SCHEMBL11138833 0.74 ADH1B (0.72) ADH1BADH1AADH7ADH1CADH4

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
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US claimed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US claimed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US claimed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP claimed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US claimed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP claimed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO claimed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO ADH1B 1426/4885ADH1A 3098/4885ADH7 1175/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT ADH1B 1795/4885ADH1A 2542/4885ADH7 1446/4885

“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.