SCHEMBL1133388

SCHEMBL1133388

CNCCNC(C)(C)c1ccccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC6A2 P23975 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PMP22 Q01453 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12608049 0.84 MEN1 (0.40) GAAMEN1KMT2ACYP3A4CYP2D6
SCHEMBL1132381 0.83 TAAR1 (0.43) GAAALDH1A1MEN1KMT2ACA12
SCHEMBL12565778 0.80 ALDH1A1 (0.38) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL15473887 0.78 CA1 (0.48) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL12608409 0.77 CHRM2 (0.38) GAAALDH1A1MEN1KMT2ACA12
SCHEMBL27679895 0.77 CA1 (0.39) GAAALDH1A1MEN1KMT2ACA12
SCHEMBL1133190 0.76 MAPT (0.36) GAASLC6A2MEN1KMT2ASLC6A4
SCHEMBL10801337 0.76 CA1 (0.50) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL1132629 0.75 SLC22A12 (0.40) GAAALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL1133276 0.74 ALDH1A1 (0.40) GAAALDH1A1KDM4ESLC6A2MEN1

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 5 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-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP 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 GAA 4274/4885ALDH1A1 4667/4885KDM4E 988/4885
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 GAA 4092/4885ALDH1A1 3050/4885KDM4E 60/4885

“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.