SCHEMBL9980739

SCHEMBL9980739

O=C(CCC(C(=O)OCc1ccccc1)n1c2ccccc2c2ccccc21)OCCOC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
ROCK2 O75116 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 3/20 0.39
KDM1A O60341 3/20 0.39
RCOR1 Q9UKL0 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9980737 1.00 ELANE (0.44) ELANETPSAB1TPSD1TPSG1KMT2A
SCHEMBL9980777 0.92 ELANE (0.46) ELANETPSAB1TPSD1TPSG1KMT2A
SCHEMBL9980780 0.92 ELANE (0.46) ELANETPSAB1TPSD1TPSG1KMT2A
SCHEMBL9980815 0.80 FNTA (0.41) KMT2AALDH1A1MEN1HPGD
SCHEMBL9980814 0.80 FNTA (0.41) KMT2AALDH1A1MEN1HPGD
SCHEMBL9980787 0.76 NPC1 (0.49) ELANEKMT2AGAARAB9AMAPT
SCHEMBL12027098 0.76 NPC1 (0.41) ELANEKMT2AGAARAB9APOLB
SCHEMBL12027039 0.76 NPC1 (0.41) ELANEKMT2AGAARAB9APOLB
SCHEMBL9980788 0.76 NPC1 (0.49) ELANEKMT2AGAARAB9AMAPT
SCHEMBL9980805 0.75 FABP4 (0.44) KMT2APOLBALDH1A1HPGDTP53

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-8486534-B2 Surface-modified polymer films BAR-ILAN UNIVERSITY (IL) 2013-07-16 US disclosed
US-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 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-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS PARN, ITGAM, PARG ELANE 573/4885TPSAB1 3455/4885TPSD1 3384/4885

“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.