SCHEMBL3575191

SCHEMBL3575191

C=C(C(=O)O)C(CCC)OCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2721276 0.86 CHRM1 (0.37) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9632890 0.86 GPR84 (0.42) HDAC2TSHR
SCHEMBL15390196 0.81 CHRM1 (0.33) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4028046 0.80 CHRM1 (0.38) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL443490 0.79 PPARG (0.46) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6786243 0.78 HCAR2 (0.32) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7192903 0.77 CHRM1 (0.35) HDAC2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5165058 0.76 HCAR2 (0.31) TDP1
SCHEMBL2690161 0.76 CA2 (0.38) TSHR
SCHEMBL4587180 0.76 CHRM1 (0.34) HDAC2CHRM1AKR1A1CHRM3HTR2A

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-7696257-B2 Oxime ester compound and photopolymerization initiator containing such compound ADEKA CORPORATION (JP) 2010-04-13 US disclosed
US-20070270522-A1 Oxime Ester Compound and Photopolymerization Initiator Containing Such Compound ADEKA CORPORATION (JP) 2007-11-22 US disclosed
EP-1489410-A2 Copolymers for membranes in extended use planar sensors Novartis AG (CH) 2004-12-22 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-20070270522-A1 Oxime Ester Compound and Photopolymerization Initiator Containing Such Compound CBR3, CBR1, SCLY HDAC2 3699/4885CHRM1 462/4885AKR1A1 219/4885

“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.