SCHEMBL3576745

SCHEMBL3576745

Cc1cccc(OCC(CN)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CTRB1 P17538 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
CTSK P43235 3/20 0.46
ELANE P08246 1/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL3568500 0.84 CTSK (0.47) MEN1KMT2ACTRB1LMNAMAPT
SCHEMBL3575439 0.83 SYK (0.66) MEN1KMT2ACTRB1LMNAMAPT
SCHEMBL16153728 0.80 CTRB1 (0.57) CTRB1LMNASMN1; SMN2POLBCTSK
SCHEMBL3580415 0.79 KMT2A (0.52) MEN1KMT2AHTTSMN1; SMN2CTSL
SCHEMBL3574844 0.79 POLB (0.41) MEN1KMT2ACTRB1LMNAMAPT
SCHEMBL30639585 0.77 CTRB1 (0.68) CTRB1CTSKELANECTSLCTSS
SCHEMBL3585190 0.77 SMN1; SMN2 (0.52) MEN1KMT2AHTTSMN1; SMN2MAPK1
SCHEMBL10250740 0.77 SYK (0.63) MEN1KMT2ACTRB1LMNACTSK
SCHEMBL15288192 0.77 SYK (0.63) MEN1KMT2ACTRB1LMNACTSK
SCHEMBL20783325 0.75 CTRB1 (0.61) CTRB1LMNASMN1; SMN2CTSKELANE

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 648/4885CTRB1 4112/4885

“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.