SCHEMBL4591522

SCHEMBL4591522

CNCCOc1cccc(CC(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NSD2 O96028 1/20 0.51
HTR1B P28222 2/20 0.50
HTR1D P28221 1/20 0.50
GAA P10253 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
LTA4H P09960 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ACHE P22303 1/20 0.46
POLB P06746 1/20 0.44
PLA2G4B P0C869 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 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
SCHEMBL4147607 0.92 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B
SCHEMBL4135562 0.87 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B
SCHEMBL13849587 0.86 LTA4H (0.51) KDM4EALDH1A1SMN1; SMN2NSD2LTA4H
Hydrochloric Acid SCHEMBL4129206 0.86 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B
SCHEMBL3334714 0.85 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2GAAMTNR1A
SCHEMBL28588436 0.85 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2GAALMNA
SCHEMBL1997596 0.84 SLC7A5 (0.48) KDM4EALDH1A1SMN1; SMN2GAAMTNR1A
SCHEMBL7804122 0.84 PLA2G4B (0.60) KDM4EALDH1A1GAAPLA2G4B
SCHEMBL2767522 0.84 SLC7A5 (0.48) KDM4EALDH1A1SMN1; SMN2GAAMTNR1A
SCHEMBL334386 0.84 SLC7A5 (0.48) KDM4EALDH1A1SMN1; SMN2GAAMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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 (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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 KDM4E 3369/4885ALDH1A1 97/4885SMN1; SMN2 1745/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS KDM4E 4338/4885ALDH1A1 4236/4885SMN1; SMN2 2633/4885

“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.