SCHEMBL10051142

SCHEMBL10051142

CCCCOc1ccc(CC(=O)C(OCC)OCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
PDE4A P27815 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
PLA2G4B P0C869 1/20 0.52
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
MAPK1 P28482 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
SCHEMBL32688657 0.82 KDM4E (0.41) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL14257281 0.81 KDM4E (0.59) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL22263574 0.81 ALOX5 (0.63) LMNAPPARGPPARDPPARA
SCHEMBL559690 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAPPARGPPARA
SCHEMBL10050755 0.78 CA2 (0.48) LMNAPPARA
SCHEMBL558881 0.78 KMT2A (0.47) SMN1; SMN2ALDH1A1LMNAPPARGPPARD
SCHEMBL8347541 0.78 KDM4E (0.68) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL1285778 0.78 PLA2G4B (0.77) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL31061025 0.78 ALOX5 (0.63) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7484161 0.78 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243741-A1 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-19 US disclosed
WO-2012040105-A2 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-03-29 WO 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-20130243741-A1 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER PPOX, TFRC, GLB1 SMN1; SMN2 3920/4885KDM4E 4255/4885CYP1A2 3318/4885

“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.