SCHEMBL3580418

SCHEMBL3580418

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTGES O14684 1/20 0.46
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL3585196 0.83 SMN1; SMN2 (0.44) MEN1KMT2AKDM4EMAPK1ADRB2
SCHEMBL3576753 0.79 MEN1 (0.46) MEN1KMT2APTGESRECQLKDM4E
SCHEMBL3566340 0.78 ADRB2 (0.50) KMT2AADRB2ADRB1SMN1; SMN2
SCHEMBL3209123 0.75 ALDH1A1 (0.43) MEN1KMT2APTGESMAPK1MAOB
SCHEMBL4973395 0.74 ALDH1A1 (0.42) MEN1KMT2APTGESMAPK1MAOB
SCHEMBL685837 0.73 MAOB (0.68) MEN1KMT2AMAOBHRH3NR4A2
SCHEMBL3580415 0.72 KMT2A (0.52) MEN1KMT2APTGESRECQLKDM4E
SCHEMBL14157447 0.71 ADRB2 (0.54) KMT2AADRB2ADRB1SMN1; SMN2
SCHEMBL3578462 0.70 MEN1 (0.43) MEN1KMT2AMAPK1ADRB2ADRB1
SCHEMBL3576745 0.69 MEN1 (0.48) MEN1KMT2AKDM4EMAPK1POLB

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 648/4885PTGES 85/4885

“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.