SCHEMBL3212544

SCHEMBL3212544

O=C(CCc1ccc(O)cc1)CC(=O)CCc1ccc2cc[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.50
TYR P14679 1/20 0.50
NLRP3 Q96P20 3/20 0.49
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
ALOX5 P09917 1/20 0.43
OR51E2 Q9H255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC2 Q92769 2/20 0.42
F2RL1 P55085 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL29820797 0.79 KDM4E (0.53) BACE1TYRNLRP3KDM4EALDH1A1
SCHEMBL4137554 0.79 PDE3B (0.47) BACE1NLRP3HDAC1ALOX5OR51E2
Letestuianin C SCHEMBL4410123 0.78 F2RL1 (0.60) BACE1HDAC8ALOX5OR51E2KDM4E
SCHEMBL29411451 0.78 HDAC1 (0.57) BACE1TYRNLRP3HDAC1HDAC8
SCHEMBL21045111 0.78 HDAC1 (0.57) BACE1TYRNLRP3HDAC1HDAC8
SCHEMBL21274689 0.78 BACE1 (0.50) BACE1TYRNLRP3HDAC1HDAC8
SCHEMBL11976581 0.77 ABL1 (0.46) BACE1NLRP3HDAC1HDAC8KDM4E
SCHEMBL12601802 0.74 IAPP (0.65) TYRALOX5OR51E2KDM4EALDH1A1
SCHEMBL18132167 0.74 CYP1A2 (0.58) BACE1TYRNLRP3HDAC1HDAC8
SCHEMBL3217413 0.73 BACE1 (0.53) BACE1HDAC8ALOX5OR51E2HDAC2

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 BACE1 1/4885TYR 3484/4885NLRP3 174/4885

“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.