SCHEMBL15219233

SCHEMBL15219233

CCCN(CC)CCN(C)CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KCNH2 Q12809 1/20 0.31
HTR2A P28223 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL24165648 0.92 KDM4E (0.33) KDM4EALDH1A1CA12CA2CA3
SCHEMBL19212955 0.88 KDM4E (0.43) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL14271449 0.88 KDM4E (0.43) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL21291699 0.86 KDM4E (0.33) KDM4EALDH1A1KCNH2HRH3
SCHEMBL14271429 0.86 KDM4E (0.42) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL6166961 0.85 KDM4E (0.45) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL10712412 0.85 KCNH2 (0.37) CA12CA2CA9KCNH2HTR2A
SCHEMBL24362159 0.83 KDM4E (0.41) KDM4EALDH1A1SIGMAR1CA12CA2
SCHEMBL10714277 0.82 KCNH2 (0.35) KDM4ECA12CA2CA9KCNH2
SCHEMBL10713604 0.82 KCNH2 (0.35) KDM4EALDH1A1CA12CA2CA9

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
EP-3717466-B1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2022-01-05 EP disclosed
US-9403860-B2 Metathesis catalysts containing onium groups APEIRON SYNTHESIS S.A. (PL) 2016-08-02 US disclosed
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-20130225807-A1 Metathesis Catalysts Containing Onium Groups APEIRON SYNTHESIS SP. ZO.O. (PL) 2013-08-29 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 (1 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 KDM4E 988/4885ALDH1A1 4667/4885SIGMAR1 3528/4885

“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.