SCHEMBL10158711

SCHEMBL10158711

COCC(O)COC(=O)OCC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29012508 0.88 ALDH1A1 (0.38) LMNAKDM4ECYP1A2SMN1; SMN2POLB
SCHEMBL10158708 0.81 TSHR (0.31) ALDH1A1
SCHEMBL20078127 0.78 KDM4E (0.38) LMNAKDM4ECYP1A2SMN1; SMN2MAPT
SCHEMBL10158723 0.78 ALDH1A1 (0.38) LMNAKDM4EMAPTALDH1A1
SCHEMBL10020242 0.77 TDP1 (0.47) LMNAKDM4ECYP1A2SMN1; SMN2MAPT
SCHEMBL9281243 0.76 ALDH1A1 (0.47) LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10158715 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14260247 0.74
SCHEMBL14700395 0.73 TDP1 (0.36) LMNAKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL12087845 0.73 KDM4E (0.42) LMNAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130195954-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2013-08-01 US disclosed
US-8338492-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-12-25 US disclosed
US-8334324-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-12-18 US disclosed
US-20120107365-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-05-03 US disclosed
US-20110152305-A1 FILMS AND PARTICLES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 US disclosed
US-7671095-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2010-03-02 US disclosed
US-20080075718-A1 Films and Particles THE TRUSTEES OF THE BOSTON UNIVERSITY 2008-03-27 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 (4 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-20110152305-A1 FILMS AND PARTICLES APOB, PGF, ACTB LMNA 220/4885KDM4E 4282/4885CYP1A2 2861/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB LMNA 220/4885KDM4E 4282/4885CYP1A2 2861/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB LMNA 220/4885KDM4E 4282/4885CYP1A2 2861/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB LMNA 220/4885KDM4E 4282/4885CYP1A2 2861/4885

“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.