SCHEMBL1648301

SCHEMBL1648301

O=Cc1cc(OCc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.58
GSTP1 P09211 2/20 0.56
MAOB P27338 8/20 0.55
MAOA P21397 7/20 0.55
TOP1 P11387 1/20 0.54
ERN1 O75460 1/20 0.51
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 1/20 0.50
P2RY14 Q15391 1/20 0.50
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL15174518 0.88 GSTP1 (0.56) BACE1GSTP1MAOBMAOATOP1
SCHEMBL18076572 0.85 ERN1 (0.61) GSTP1MAOBMAOAERN1CCNB2
SCHEMBL8327914 0.84 MAOA (0.61) GSTP1MAOBMAOATOP1ERN1
SCHEMBL27845425 0.83 BACE1 (0.42) BACE1GSTP1MAOBMAOATOP1
SCHEMBL3615463 0.81 MAOB (0.58) GSTP1MAOBMAOATOP1ERN1
SCHEMBL5881950 0.81 MAOB (0.51) BACE1GSTP1MAOBMAOAERN1
SCHEMBL19660281 0.81 MAOA (0.51) GSTP1MAOBMAOATOP1ERN1
SCHEMBL16507010 0.80 CYP1A2 (0.55) BACE1GSTP1MAOBMAOATOP1
SCHEMBL1588758 0.80 BACE1 (0.57) BACE1GSTP1MAOBMAOATOP1
SCHEMBL16319302 0.80 MAOB (0.56) MAOBMAOATOP1ERN1TDP1

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 8 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-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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 BACE1 1/4885GSTP1 1799/4885MAOB 969/4885
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885GSTP1 937/4885MAOB 1215/4885

“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.