SCHEMBL3209434

SCHEMBL3209434

CN(C)c1ccc(Br)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.52
CYP2A6 P11509 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A3 P47895 2/20 0.40
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 4/20 0.36
APP P05067 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
PIM3 Q86V86 2/20 0.34
ALDH3A1 P30838 1/20 0.34
CCR5 P51681 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.33
PRKDC P78527 1/20 0.33
CYP2A13 Q16696 1/20 0.33

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
SCHEMBL31457111 1.00 ERN1 (0.52) ERN1CYP2A6PTGDR2ALDH1A3PTPN1
SCHEMBL3208498 0.84 ERN1 (0.47) ERN1CYP2A6PTGDR2ALDH1A3PTPN1
SCHEMBL2042638 0.80 NCEH1 (0.41) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL6102737 0.80 ALDH1A3 (0.46) ERN1CYP2A6PTGDR2ALDH1A3PTPN1
SCHEMBL7526844 0.80 ERN1 (0.34) ERN1ALDH1A1APPPOLBMAPK1
SCHEMBL6103005 0.79 ERN1 (0.43) ERN1CYP2A6PTGDR2ALDH1A3PTPN1
SCHEMBL10364078 0.78 ALDH1A1 (0.49) ERN1CYP2A6ALDH1A3ALDH1A1MAPK1
SCHEMBL5685311 0.78 ALDH1A3 (0.49) CYP2A6ALDH1A3ALDH1A1APPALDH3A1
SCHEMBL30893368 0.78 ALDH1A3 (0.49) CYP2A6ALDH1A3ALDH1A1APPALDH3A1
SCHEMBL6104478 0.77 ERN1 (0.41) ERN1CYP2A6PTGDR2ALDH1A3ALDH1A1

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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ERN1 2254/4885CYP2A6 3242/4885PTGDR2 3455/4885
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 ERN1 3748/4885CYP2A6 417/4885PTGDR2 645/4885

“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.