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SCHEMBL13913072

SCHEMBL13913072

NCCNC(=O)CCN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CC(=O)NCCN

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.37
▸ CA2 P00918 14/20 0.37
▸ CA4 P22748 7/20 0.37
▸ CA12 O43570 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ KDM4A O75164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TET2 Q6N021 1/20 0.34
▸ DOHH Q9BU89 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DNM1 Q05193 2/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 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
SCHEMBL18650771 0.98 CA1 (0.38) CA1CA2CA4CA12CA9
SCHEMBL24625968 0.92 KDM4A (0.37) CA1CA2KDM4AHIF1ATET2
SCHEMBL16984940 0.92 KDM4A (0.37) CA1CA2KDM4AHIF1ATET2
SCHEMBL10194547 0.92 KDM4A (0.37) CA1CA2KDM4AHIF1ATET2
SCHEMBL12219612 0.90 KDM4A (0.38) CA1CA2KDM4AHIF1ATET2
Poly(Amidoamine)Dendrimer SCHEMBL13964588 0.89 DNM1 (0.37) CA1CA2CA12CA9KDM4A
SCHEMBL8239576 0.89 DNM1 (0.37) CA1CA2CA12CA9KDM4A
SCHEMBL13374199 0.89 KDM4A (0.36) CA1CA2CA4KDM4AHIF1A
SCHEMBL9397104 0.88 CA1 (0.43) CA1CA2CA4CA12CA9
SCHEMBL12946157 0.87 DNM1 (0.43) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298037-A1 MICROCHEMICAL NANOFACTORIES STATE UNIVERSITY 2012-11-29 — — US disclosed
US-20120298037-A1 MICROCHEMICAL NANOFACTORIES STATE UNIVERSITY 2012-11-29 — — US disclosed
US-7507380-B2 Microchemical nanofactories STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2009-03-24 — — US disclosed
US-7507380-B2 Microchemical nanofactories STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2009-03-24 — — US disclosed
US-20080108122-A1 Microchemical nanofactories State of Oregon acting by and through the State Board of Higher Education on behalf of Oregon 2008-05-08 — — US disclosed
US-20080108122-A1 Microchemical nanofactories State of Oregon acting by and through the State Board of Higher Education on behalf of Oregon 2008-05-08 — — 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-20080108122-A1 Microchemical nanofactories MCM6, INTS6, VCL CA1 239/4885CA2 2009/4885CA4 573/4885

“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.