SCHEMBL1648002

SCHEMBL1648002

CCOc1ccccc1-c1ccc(O)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
CHEK1 O14757 1/20 0.46
WEE1 P30291 1/20 0.46
ERN1 O75460 4/20 0.45
ALDH1A1 P00352 8/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CAPN1 P07384 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1645574 0.85 ERN1 (0.43) PTPRCERN1ALDH1A1CTSLHPGD
SCHEMBL4034867 0.80 ALDH1A1 (0.51) ERN1ALDH1A1CAPN1CTSLCTSB
SCHEMBL6535955 0.80 ERN1 (0.48) ERN1ALDH1A1CAPN1CTSLCTSB
SCHEMBL1645383 0.78 BACE1 (0.64) MAPT
SCHEMBL1645385 0.78 BACE1 (0.64) MAPT
SCHEMBL295293 0.77 ALDH1A1 (0.51) ERN1ALDH1A1ESR1ESR2CAPN1
SCHEMBL19497944 0.75 ERN1 (0.54) ERN1ALDH1A1ESR1MEN1KMT2A
SCHEMBL1645374 0.75 ALDH1A1 (0.47) CHEK1WEE1ERN1ALDH1A1ESR1
SCHEMBL27936515 0.75 PTPN11 (0.44) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL198911 0.74 ALDH1A1 (0.60) PTPRCALDH1A1HPGDMAPTTDP1

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-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US 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

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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 PTPRC 3656/4885CHEK1 2649/4885WEE1 3911/4885

“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.