SCHEMBL16625786

SCHEMBL16625786

CN(C)CCN(C)CC(O)CN1CCCN(CC(O)CN(C)CCN(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GLA P06280 1/20 0.34
USP2 O75604 1/20 0.33
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

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
SCHEMBL8473210 0.84 ATM (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8473822 0.75 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL25707806 0.74 CA12 (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8474906 0.74 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8475416 0.73 MEN1 (0.59) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL16625790 0.72 KMT2A (0.44) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20366092 0.71 DRD2 (0.40) KMT2AMEN1
SCHEMBL25168083 0.71 CA12 (0.48) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL13043939 0.69 L3MBTL1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20356793 0.69 CA12 (0.46) KDM4EMAPTL3MBTL1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005746-B2 Molecular catalysts capable of catalyzing oxidation of hydrocarbons and method for oxidizing hydrocarbons ACADEMIA SINICA (TW) 2018-06-26 US disclosed
US-10005746-B2 Molecular catalysts capable of catalyzing oxidation of hydrocarbons and method for oxidizing hydrocarbons ACADEMIA SINICA (TW) 2018-06-26 US disclosed
US-20150099876-A1 Molecular Catalysts Capable of Catalyzing Oxidation of Hydrocarbons and Method for Oxidizing Hydrocarbons NATIONAL TAIWAN UNIVERSITY (TW) 2015-04-09 US disclosed
US-20150099876-A1 Molecular Catalysts Capable of Catalyzing Oxidation of Hydrocarbons and Method for Oxidizing Hydrocarbons NATIONAL TAIWAN UNIVERSITY (TW) 2015-04-09 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-10005746-B2 Molecular catalysts capable of catalyzing oxidation of hydrocarbons and method for oxidizing hydrocarbons HMOX1, HMOX2, CYC1 KMT2A 1312/4885MEN1 3681/4885KDM4E 2729/4885
US-20150099876-A1 Molecular Catalysts Capable of Catalyzing Oxidation of Hydrocarbons and Method for Oxidizing Hydrocarbons HMOX1, HMOX2, CYC1 KMT2A 1312/4885MEN1 3681/4885KDM4E 2729/4885

“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.