SCHEMBL2638360

SCHEMBL2638360

C=CC(NCCCC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL10981498 0.90 CYP2C19 (0.41) CDC25ACDC25BCYP2C19ALDH1A1RXFP1
SCHEMBL4445401 0.81 MTOR (0.52) ATMHTTADRA1ASLC6A3SMN1; SMN2
SCHEMBL10985417 0.80 CYP2C19 (0.43) HDAC3HDAC4HDAC1SMN1; SMN2HDAC7
SCHEMBL6050938 0.78 ATM (0.49) ATMGAACDC25ACDC25BHTT
SCHEMBL10989196 0.78 RAB9A (0.41) GAAHTTADRA1ASLC6A3SMN1; SMN2
SCHEMBL11328925 0.78 MTOR (0.61) ATMCDC25ACDC25BHTTHDAC3
Hydrochloric Acid SCHEMBL8952425 0.78 ALDH1A1 (0.50) GAAHTTMAPK1SMN1; SMN2CYP2C19
SCHEMBL3293029 0.76 NAAA (0.47) HTTCYP2C19ALDH1A1MAPT
SCHEMBL21647367 0.76 CDC25A (0.47) ATMGAACDC25ACDC25BHTT
SCHEMBL15131122 0.76 CYP3A4 (0.56) ATMHTTADRA1ASLC6A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791042-B2 2011-10-12 JP claimed
EP-1401562-B1 PROCESS FOR THE FORMATION OF EMULSIONS SYNGENTA LTD (GB) 2008-10-08 EP claimed
US-7199185-B2 Use of reactive polymeric surfactants in the formation of emulsions SYNGENTA LIMITED (GB) 2007-04-03 US claimed
EP-1569512-B1 PARTICULATE SUSPENSIONS SYNGENTA LTD (GB) 2007-02-28 EP claimed
US-20060116290-A1 Particulate suspensions SYNGENTA CROP PROTECTION, INC. 2006-06-01 US claimed
EP-1569512-A2 PARTICULATE SUSPENSIONS Syngenta Limited (GB) 2005-09-07 EP claimed
US-20040197357-A1 Use of reactive polymeric surfactants in the formation of emulsions SYNGENTA LIMITED (GB) 2004-10-07 US claimed
WO-2004052099-A2 PARTICULATE SUSPENSIONS SYNGENTA LIMITED (GB) 2004-06-24 WO claimed
EP-1401562-A2 USE OF REACTIVE POLYMERIC SURFACTANTS IN THE FORMATION OF EMULSIONS Syngenta Limited (GB) 2004-03-31 EP claimed
WO-2002100525-A2 USE OF REACTIVE POLYMERIC SURFACTANTS IN THE FORMATION OF EMULSIONS SYNGENTA LIMITED (GB) 2002-12-19 WO claimed
US-7199185-B2 Use of reactive polymeric surfactants in the formation of emulsions SYNGENTA LIMITED (GB) 2007-04-03 US disclosed
EP-1569512-B1 PARTICULATE SUSPENSIONS SYNGENTA LTD (GB) 2007-02-28 EP disclosed
US-20060116290-A1 Particulate suspensions SYNGENTA CROP PROTECTION, INC. 2006-06-01 US disclosed
EP-1569512-A2 PARTICULATE SUSPENSIONS Syngenta Limited (GB) 2005-09-07 EP disclosed
US-20040197357-A1 Use of reactive polymeric surfactants in the formation of emulsions SYNGENTA LIMITED (GB) 2004-10-07 US disclosed
WO-2004052099-A2 PARTICULATE SUSPENSIONS SYNGENTA LIMITED (GB) 2004-06-24 WO disclosed
EP-1401562-A2 USE OF REACTIVE POLYMERIC SURFACTANTS IN THE FORMATION OF EMULSIONS Syngenta Limited (GB) 2004-03-31 EP disclosed
WO-2002100525-A2 USE OF REACTIVE POLYMERIC SURFACTANTS IN THE FORMATION OF EMULSIONS SYNGENTA LIMITED (GB) 2002-12-19 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 (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-20040197357-A1 Use of reactive polymeric surfactants in the formation of emulsions PHOSPHO1, APOB, LIPA ATM 1730/4885GAA 997/4885CDC25A 252/4885
US-20060116290-A1 Particulate suspensions PFAS, VCL, JMJD7 ATM 2669/4885GAA 1405/4885CDC25A 334/4885

“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.