SCHEMBL5846679

SCHEMBL5846679

CCC(C)OC(=O)c1cc(Nc2ccc(OC)cc2OC)c(C(=O)O)cc1Nc1ccc(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.52
AKR1C2 P52895 5/20 0.52
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.44
APAF1 O14727 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
CASP8 Q14790 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL8834053 0.80 AKR1C3 (0.63) AKR1C3AKR1C2ALDH1A1KDM4EGLA
SCHEMBL5846672 0.79 TP53 (0.56) AKR1C3AKR1C2TAS1R3TAS1R1ALDH1A1
SCHEMBL8833711 0.78 TP53 (0.55) AKR1C3AKR1C2TAS1R3TAS1R1ALDH1A1
SCHEMBL5846278 0.77 MAPT (0.52) AKR1C3AKR1C2ALDH1A1MAPTKMT2A
SCHEMBL8833701 0.75 GAA (0.62) AKR1C3AKR1C2ALDH1A1KDM4EGLA
SCHEMBL11648417 0.74 MAPT (0.42) AKR1C3TAS1R3TAS1R1ALDH1A1GAA
SCHEMBL8834506 0.73 AKR1C3 (0.67) AKR1C3AKR1C2ALDH1A1KDM4EGAA
SCHEMBL10074768 0.73 AKR1C3 (0.73) AKR1C3AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL8834135 0.73 AKR1C3 (0.55) AKR1C3AKR1C2ALDH1A1KDM4EGAA
SCHEMBL22720113 0.72 MEN1 (0.72) AKR1C3AKR1C2KDM4EMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141312-B2 Organic electroluminescent device based on 2,5-diaminoterephthalic acid derivatives SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2006-11-28 US disclosed
US-7112674-B2 Organic electroluminescent device based on 2,5-diaminoterephthalic acid derivatives SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2006-09-26 US disclosed
US-20050025992-A1 Organic electroluminescent device based on 2,5-diaminoterephthalic acid derivatives RICHTER ANDREAS (DE) 2005-02-03 US disclosed
US-20050003230-A1 Organic electroluminescent device and based on 2,5-diaminoterephthalic acid derivatives SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2005-01-06 US 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-20050003230-A1 Organic electroluminescent device and based on 2,5-diaminoterephthalic acid derivatives NPY4R, NPY5R, NPY1R AKR1C3 784/4885AKR1C2 1448/4885TAS1R3 461/4885

“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.