SCHEMBL1645374

SCHEMBL1645374

Cc1ccccc1-c1ccc(O)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
ESR2 Q92731 5/20 0.44
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
ESR1 P03372 4/20 0.41
ANPEP P15144 1/20 0.41
DPP4 P27487 1/20 0.41
HSP90AA1 P07900 1/20 0.40
CHEK1 O14757 1/20 0.39
WEE1 P30291 1/20 0.39
TYR P14679 1/20 0.39
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
ERN1 O75460 2/20 0.38
LMNA P02545 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
SCHEMBL28947050 0.81 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5711185 0.81 TSHR (0.58) ALDH1A1TSHRKDM4EDPP4TRIM24
SCHEMBL28533543 0.79 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL405754 0.79 ALDH1A1 (0.47) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL1513492 0.79 ESR2 (0.67) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL1765158 0.79 TSHR (0.67) ALDH1A1TSHRKDM4EHPGDTRIM24
SCHEMBL13324712 0.77 ALDH1A1 (0.52) ALDH1A1TSHRESR2GAATRIM24
SCHEMBL2865467 0.77 ALOX5 (0.54) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL1646735 0.77 BACE1 (0.49) ESR2ESR1ERN1MCL1
SCHEMBL2906818 0.77 ESR2 (0.46) ALDH1A1TSHRESR2ESR1ANPEP

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 ALDH1A1 683/4885TSHR 4311/4885KDM4E 1786/4885

“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.