SCHEMBL13554187

SCHEMBL13554187

CCN(CC)CCN(C)CCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL12120438 0.86 PIK3CD (0.39) PIK3CDCHRM2TLR8TLR7
SCHEMBL12296158 0.85 PIK3CD (0.50) PIK3CDMEN1KMT2ACA12CA2
SCHEMBL1408760 0.82
SCHEMBL259497 0.82 PIK3CD (0.62) PIK3CDSIGMAR1MEN1KMT2ACA12
SCHEMBL9388290 0.82 CA12 (0.47) ALDH1A1KDM4ESIGMAR1MEN1POLB
Iodide SCHEMBL28268785 0.79 KMT2A (0.44) PIK3CDALDH1A1KDM4ESIGMAR1MEN1
SCHEMBL96919 0.79
Hydrochloric Acid SCHEMBL4659475 0.79 PIK3CD (0.59) PIK3CDSIGMAR1MEN1KMT2ACA12
SCHEMBL10143907 0.77 CA12 (0.61) PIK3CDALDH1A1SIGMAR1MEN1KMT2A
Iodomethane SCHEMBL27939134 0.77 KMT2A (0.43) PIK3CDALDH1A1KDM4ESIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 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 (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-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 PIK3CD 4034/4885ALDH1A1 4667/4885KDM4E 988/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 PIK3CD 2899/4885ALDH1A1 2304/4885KDM4E 2748/4885

“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.