SCHEMBL3514480

SCHEMBL3514480

C=CCC(O)([PH2]=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
MMP8 P22894 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PIN1 Q13526 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.31
MDM4 O15151 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MDM2 Q00987 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL3516030 0.88 ALDH1A1 (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL3510332 0.87 RECQL (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL4872665 0.79
SCHEMBL4871261 0.74 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL3516033 0.73 ALDH1A1 (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL4872675 0.72
SCHEMBL4871262 0.70 MEN1 (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL27615261 0.70 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL7238580 0.69 MAPT (0.43) SMN1; SMN2ALDH1A1MDM4LMNAMAPT
SCHEMBL7238575 0.69 MAPT (0.43) SMN1; SMN2ALDH1A1MDM4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2011-12-29 US disclosed
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2010-11-04 US disclosed
US-7264956-B2 N-alpha-acyl-glutamine-aminoacylase for identifying enzyme inhibitors which prevent/supress sweating odor; deodorants GIVAUDAN SA (CH) 2007-09-04 US disclosed
EP-1811034-A2 Compounds and method for inhibiting axillary malodour Givaudan SA (CH) 2007-07-25 EP disclosed
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour GIVAUDAN SA (CH) 2004-12-02 US disclosed
EP-1387891-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR Givaudan SA (CH) 2004-02-11 EP disclosed
WO-2002092024-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2002-11-21 WO 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 (3 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-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH KMT2A 4033/4885SMN1; SMN2 4181/4885MEN1 3655/4885
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH KMT2A 4033/4885SMN1; SMN2 4181/4885MEN1 3655/4885
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 KMT2A 4278/4885SMN1; SMN2 3802/4885MEN1 2784/4885

“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.