SCHEMBL3214714

SCHEMBL3214714

O=C(C=Cc1cccnc1N1CCOCC1)CC(=O)C=Cc1cccnc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
SCN9A Q15858 1/20 0.49
MAPK1 P28482 1/20 0.48
TRPV1 Q8NER1 2/20 0.48
NAMPT P43490 1/20 0.44
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KIF18A Q8NI77 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
SCN2A Q99250 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3214644 1.00 CYP1A2 (0.51) CYP1A2CYP2C9SCN9AMAPK1TRPV1
SCHEMBL3198194 0.91 BACE1 (0.57) CYP1A2CYP2C9SCN9ABACE1
SCHEMBL3198226 0.91 BACE1 (0.57) CYP1A2CYP2C9SCN9ABACE1
SCHEMBL3778169 0.88 CYP1A2 (0.49) CYP1A2CYP2C9SCN9AMAPK1TRPV1
SCHEMBL3778174 0.88 CYP1A2 (0.49) CYP1A2CYP2C9SCN9AMAPK1TRPV1
SCHEMBL15959211 0.80 CYP1A2 (0.51) CYP1A2CYP2C9SCN9AMAPK1TRPV1
SCHEMBL3218868 0.79 HTR3E (0.54) MAPK1ALDH1A1TSHRMAPTLMNA
SCHEMBL3218878 0.79 HTR3E (0.54) MAPK1ALDH1A1TSHRMAPTLMNA
SCHEMBL101958 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1ALDH1A1POLB
SCHEMBL23059676 0.77 SCN9A (0.55) SCN9AMAPK1TRPV1NAMPTALDH1A1

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-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US 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

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 CYP1A2 3137/4885CYP2C9 4148/4885SCN9A 381/4885

“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.