SCHEMBL14769324

SCHEMBL14769324

CCN(CC)CC/N=C/c1nccn1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
LPO P22079 1/20 0.31
PTP4A3 O75365 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
SCHEMBL4256486 0.84 LPO (0.39) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL4259643 0.84 LPO (0.39) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL14769326 0.80 ALDH1A1 (0.39) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL14769322 0.75 LPO (0.32) LPOPTP4A3
SCHEMBL14769323 0.75 LPO (0.32) HTTMEN1KMT2ALPOPTP4A3
SCHEMBL1254916 0.70 LPO (0.43) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL19999314 0.69
SCHEMBL13351500 0.68 PTP4A3 (0.36) HTTMEN1KMT2ALPOPTP4A3
SCHEMBL11694307 0.68 NR4A1 (0.45) MEN1KMT2AALDH1A1HPGD
SCHEMBL11694311 0.68 NR4A1 (0.45) MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9545623-B2 Nickel-based catalytic composition and method of oligomerization of olefins using said composition IFP Energies Nouvelles (FR) 2017-01-17 US disclosed
US-20130066128-A1 NOVEL NICKEL-BASED CATALYTIC COMPOSITION AND METHOD OF OLIGOMERIZATION OF OLEFINS USING SAID COMPOSITION IFP Energies Nouvelles (FR) 2013-03-14 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-20130066128-A1 NOVEL NICKEL-BASED CATALYTIC COMPOSITION AND METHOD OF OLIGOMERIZATION OF OLEFINS USING SAID COMPOSITION POR, NIT2, NOD2 HTT 2708/4885MEN1 875/4885KMT2A 2736/4885

“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.