SCHEMBL16625784

SCHEMBL16625784

CN(C)CCN(Cc1ccccc1)CC(O)CN1CCCN(CC(O)CN(CCN(C)C)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
DNM1 Q05193 1/20 0.41
ALOX15 P16050 1/20 0.41
BACE1 P56817 4/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 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
SCHEMBL4338285 0.79 KMT2A (0.61) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL4333075 0.79 KMT2A (0.61) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL5557205 0.75 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMEN1BACE1
SCHEMBL21936197 0.75 HSD17B10 (0.64) KMT2AHSD17B10L3MBTL1GAA
SCHEMBL5477835 0.74 HRH3 (0.50) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL5477831 0.74 HRH3 (0.50) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL16625786 0.73 KMT2A (0.44) KMT2AALDH1A1KDM4EMEN1ALOX15
SCHEMBL10147148 0.73 CALM1 (0.53) KMT2AALDH1A1KDM4EMEN1TSHR
Hydrochloric Acid SCHEMBL5557210 0.73 RAD52 (0.51) KMT2AALDH1A1KDM4EMEN1ALOX15
SCHEMBL18975189 0.72 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EMEN1BACE1

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 1312/4885ALDH1A1 1478/4885KDM4E 2729/4885
US-20150099876-A1 Molecular Catalysts Capable of Catalyzing Oxidation of Hydrocarbons and Method for Oxidizing Hydrocarbons HMOX1, HMOX2, CYC1 KMT2A 1312/4885ALDH1A1 1478/4885KDM4E 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.