SCHEMBL16625790

SCHEMBL16625790

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL8473424 0.88 MAPT (0.44) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL18970128 0.88 MEN1 (0.41) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL8473214 0.84 KMT2A (0.39) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL12501341 0.74 SMN1; SMN2 (0.50) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL22550664 0.73 KDM4E (0.39) MAPTALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL16625786 0.72 KMT2A (0.44) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL16617876 0.71 KMT2A (0.62) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL11892772 0.71
SCHEMBL11892695 0.71
SCHEMBL8473210 0.70 ATM (0.47) KMT2AMEN1ATMMAPTALDH1A1

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 3681/4885ATM 1965/4885
US-20150099876-A1 Molecular Catalysts Capable of Catalyzing Oxidation of Hydrocarbons and Method for Oxidizing Hydrocarbons HMOX1, HMOX2, CYC1 KMT2A 1312/4885MEN1 3681/4885ATM 1965/4885

“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.