SCHEMBL3208498

SCHEMBL3208498

CN(C)c1cc(Br)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
CYP2A6 P11509 4/20 0.41
PTPN1 P18031 1/20 0.38
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PIM3 Q86V86 2/20 0.36
PIM1 P11309 1/20 0.36
ALDH1A3 P47895 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
APP P05067 1/20 0.34
PRKDC P78527 1/20 0.33
EGFR P00533 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
SCHEMBL25959321 0.85 ERN1 (0.48) ERN1CYP2A6PTPN1ALDH1A1PTGDR2
SCHEMBL3209434 0.84 ERN1 (0.52) ERN1CYP2A6PTPN1CCR5ALDH1A1
SCHEMBL31457111 0.84 ERN1 (0.52) ERN1CYP2A6PTPN1CCR5ALDH1A1
SCHEMBL2042638 0.80 NCEH1 (0.41) ERN1CYP2A6PTPN1ALDH1A1KDM4E
SCHEMBL29012716 0.78 CYP2A6 (0.48) CYP2A6ALDH1A1KDM4EGAAALDH1A3
SCHEMBL31267103 0.78 CYP2A6 (0.48) CYP2A6ALDH1A1KDM4EGAAALDH1A3
SCHEMBL17872018 0.78 ALDH1A1 (0.53) ERN1CYP2A6ALDH1A1KDM4EGAA
SCHEMBL7671562 0.78 CYP2A6 (0.48) CYP2A6ALDH1A1KDM4EGAAMAPK1
SCHEMBL24248444 0.77 ERN1 (0.41) ERN1CYP2A6PTPN1ALDH1A1KDM4E
SCHEMBL6272661 0.76 TDP1 (0.55) ERN1PTPN1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894873-A Aryltriazolyl and related GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2025-04-25 CN 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 (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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ERN1 2254/4885CYP2A6 3242/4885PTPN1 4355/4885

“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.