SCHEMBL3576753

SCHEMBL3576753

Cc1cccc(OCC(C)N(N)C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HPGD P15428 1/20 0.42
PTGES O14684 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL3580418 0.79 MEN1 (0.48) MEN1KMT2APOLBRECQLKDM4E
SCHEMBL10739372 0.76 ALDH1A1 (0.49) KMT2APOLBMAPK1HPGD
SCHEMBL10741089 0.76 ALDH1A1 (0.49) KMT2AMAPK1MAOB
SCHEMBL10745452 0.74 ALDH1A1 (0.53) KMT2AMAPK1HPGD
SCHEMBL3576745 0.74 MEN1 (0.48) MEN1KMT2APOLBKDM4EMAPK1
SCHEMBL3566340 0.74 ADRB2 (0.50) KMT2AADRB2ADRB1
SCHEMBL19436603 0.72 ALDH1A1 (0.50) KMT2AMAPK1HPGD
SCHEMBL10746736 0.72 ALDH1A1 (0.47) MAPK1PTGES
SCHEMBL7358407 0.71 L3MBTL1 (0.49) MEN1KMT2APOLBMAPK1HPGD
SCHEMBL685837 0.71 MAOB (0.68) MEN1KMT2AMAOBHRH3NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A MEN1 4235/4885KMT2A 648/4885POLB 2803/4885

“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.