SCHEMBL1646735

SCHEMBL1646735

O=Cc1cc(O)ccc1-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
MEN1 O00255 1/20 0.42
DHODH Q02127 1/20 0.42
KMT2A Q03164 1/20 0.42
ERN1 O75460 3/20 0.41
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PSD A5PKW4 1/20 0.40
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL9097166 0.84 ESR1 (0.48) BACE1ESR1ESR2MEN1KMT2A
SCHEMBL31177892 0.81 MEN1 (0.48) BACE1MEN1KMT2AERN1
SCHEMBL548462 0.81 MEN1 (0.48) BACE1MEN1KMT2AERN1
SCHEMBL18253147 0.81 MAOA (0.50) BACE1ERN1AKR1C3AKR1C2
SCHEMBL14141574 0.81 ERN1 (0.43) BACE1MEN1KMT2AERN1CYP3A4
SCHEMBL631769 0.79 ALOX5 (0.56) ESR1ESR2MEN1DHODHKMT2A
SCHEMBL9095318 0.79 ESR1 (0.41) BACE1ESR1ESR2MEN1DHODH
SCHEMBL3962387 0.78 ERN1 (0.50) BACE1MEN1KMT2AERN1MCL1
SCHEMBL13492510 0.77 ESR2 (0.54) ESR1ESR2MEN1KMT2ACYP17A1
SCHEMBL1645374 0.77 ALDH1A1 (0.47) ESR1ESR2ERN1MCL1

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 11 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
CN-102046575-B Therapeutic agent for alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-10-29 CN 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
WO-2012138654-A2 ATROPISOMERIC 1,8-BISPHENOLNAPTHALENES AND THEIR USE IN ENANTIOSELECTIVE RECOGNITION AND ASYMMETRIC SYNTHESIS GEORGETOWN UNIVERSITY (US) 2012-10-11 WO disclosed
CN-102046575-A Therapeutic agent for alzheimer's disease TOKYO INST TECH 2011-05-04 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 1/4885ESR1 4365/4885ESR2 3184/4885
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885ESR1 1558/4885ESR2 572/4885

“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.