SCHEMBL14005200

SCHEMBL14005200

O=C(CNCC(=O)NCCCCCC(=O)OCc1ccccc1)NCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
HTT P42858 1/20 0.51
TPSAB1 Q15661 3/20 0.51
TPSD1 Q9BZJ3 3/20 0.51
TPSG1 Q9NRR2 3/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
PLG P00747 1/20 0.49
ELANE P08246 1/20 0.49
TGM2 P21980 1/20 0.49
TRPV1 Q8NER1 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL17767806 0.90 EPHX2 (0.61) EPHX2HTTTPSAB1TPSD1TPSG1
SCHEMBL17767811 0.90 EPHX2 (0.61) EPHX2HTTTPSAB1TPSD1TPSG1
SCHEMBL28090584 0.86 EPHX2 (0.58) EPHX2HTTTPSAB1TPSD1TPSG1
SCHEMBL6014038 0.86 HDAC3 (0.59) EPHX2HTTTPSAB1TPSD1TPSG1
SCHEMBL26315834 0.85 LMNA (0.64) EPHX2HTTALDH1A1MEN1HPGD
SCHEMBL28090334 0.85 HTT (0.52) HTTTPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL21764581 0.85 HTT (0.71) EPHX2HTTTPSAB1TPSD1TPSG1
SCHEMBL17599911 0.84 EPHX2 (0.56) EPHX2HTTALDH1A1MEN1HPGD
SCHEMBL18703881 0.84 EPHX2 (0.56) EPHX2HTTALDH1A1MEN1HPGD
SCHEMBL21886777 0.84 EPHX2 (0.56) EPHX2HTTTPSAB1TPSD1TPSG1

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-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-11-27 US disclosed
US-7351855-B2 Chemically defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-04-01 US disclosed
US-20070254851-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY 2007-11-01 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 (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-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF SSB, PCNA, NCL EPHX2 4813/4885HTT 638/4885TPSAB1 3818/4885
US-20070254851-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof SSB, PCNA, NCL EPHX2 4813/4885HTT 638/4885TPSAB1 3818/4885

“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.