SCHEMBL3828720

SCHEMBL3828720

C=CC(=O)NCC(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.51
ALDH1A1 P00352 8/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GSK3B P49841 1/20 0.47
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
AGTR1 P30556 1/20 0.43
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL195429 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP1A2NPC1
SCHEMBL194549 0.82 MEN1 (0.52) TGM2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL23014245 0.82 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL7444387 0.78 RAB9A (0.55) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
Toluene SCHEMBL27520763 0.77 TGM2 (0.49) TGM2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL14388863 0.76 GSK3B (0.55) TGM2ALDH1A1KMT2AMEN1NPC1
SCHEMBL959540 0.75 TGM2 (0.69) TGM2ALDH1A1KMT2AMEN1NPC1
SCHEMBL22876929 0.74 NPC1 (0.59) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL26114568 0.73 KMT2A (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL600578 0.72 RAB9A (0.83) ALDH1A1KMT2AMEN1CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019473-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2020-02-19 EP disclosed
US-10234761-B2 Oxime ester photoinitiators BASF SE (DE) 2019-03-19 US disclosed
US-20160377977-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2016-12-29 US disclosed
US-7905952-B2 Blue phthalocyanine pigment composition and its preparation BASF SE (DE) 2011-03-15 US disclosed
US-20090293769-A1 BLUE PHTHALOCYANINE PIGMENT COMPOSITION AND ITS PREPARATION CIBA CORPORATION (US) 2009-12-03 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-10234761-B2 Oxime ester photoinitiators C9, C5, CBR3 TGM2 3186/4885ALDH1A1 2225/4885KMT2A 1256/4885
US-20160377977-A1 OXIME ESTER PHOTOINITIATORS C5, C9, CBR3 TGM2 3196/4885ALDH1A1 2223/4885KMT2A 1290/4885

“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.