SCHEMBL16617876

SCHEMBL16617876

CCN1CCN(CC(O)CN2CCCN(CC(O)CN3CCN(CC)CC3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
ATM Q13315 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 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
SCHEMBL10109539 0.84 MEN1 (0.49) KMT2AMEN1ATMMAPTHSD17B10
SCHEMBL16625789 0.83 MEN1 (0.90) KMT2AMEN1ATMMAPTHSD17B10
SCHEMBL14357428 0.82 MAPT (0.64) KMT2AMEN1ATMMAPTHSD17B10
SCHEMBL22994928 0.82 MAPT (0.64) KMT2AMEN1ATMMAPTHSD17B10
SCHEMBL14357429 0.82 MAPT (0.64) KMT2AMEN1ATMMAPTHSD17B10
SCHEMBL11892772 0.81
SCHEMBL11892695 0.81
SCHEMBL10895166 0.80 MEN1 (0.94) KMT2AMEN1ATMMAPTHSD17B10
SCHEMBL19679814 0.80 KMT2A (0.46) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL19679818 0.80 KMT2A (0.46) KMT2AMAPTALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993856-B2 Ambient methane functionalization initiated by d0 metal-oxo electrocatalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-28 US disclosed
US-20230175151-A1 AMBIENT METHANE FUNCTIONALIZATION INITIATED BY D0 METAL-OXO ELECTROCATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-08 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-10005746-B2 Molecular catalysts capable of catalyzing oxidation of hydrocarbons and method for oxidizing hydrocarbons ACADEMIA SINICA (TW) 2018-06-26 US disclosed
EP-3052436-A1 MOLECULAR CATALYSTS CAPABLE OF CATALYZING OXIDATION OF HYDROCARBONS AND METHOD FOR OXIDIZING HYDROCARBONS Academia Sinica (TW) 2016-08-10 EP 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
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.