SCHEMBL10063779

SCHEMBL10063779

O=C(O)COCCOCC(=O)OCC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 6/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TP53 P04637 1/20 0.48
▸ PAM P19021 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ HTT P42858 1/20 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
SCHEMBL3194897 0.80 TDP1 (0.54) HPGDNPC1RAB9AMAPTKMT2A
SCHEMBL9547932 0.79 KMT2A (0.57) HPGDNPC1RAB9AMAPTKMT2A
SCHEMBL9547929 0.78 KMT2A (0.60) HPGDNPC1RAB9AMAPTKMT2A
SCHEMBL11907176 0.78 ALDH1A1 (0.58) KMT2AL3MBTL1PAMLMNAHTT
SCHEMBL4080431 0.77 MAPT (0.69) HPGDNPC1RAB9AMAPTKMT2A
SCHEMBL7946523 0.77 MAPT (0.58) HPGDNPC1RAB9AMAPTKMT2A
SCHEMBL24458494 0.77 ALDH1A1 (0.56) KMT2AL3MBTL1PAMLMNAHTT
SCHEMBL31235767 0.77 ALDH1A1 (0.56) KMT2AL3MBTL1PAMLMNAHTT
SCHEMBL21759724 0.77 ALDH1A1 (0.56) KMT2AL3MBTL1PAMLMNAHTT
SCHEMBL6206820 0.76 TDP1 (0.60) HPGDNPC1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 — — US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 — — US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 — — US disclosed
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2012-01-05 — — US disclosed
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 — — US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 — — US disclosed
US-7728117-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2010-06-01 — — US disclosed
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma GLYCOMIMETICS, INC. (US) 2007-03-08 — — 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 (5 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-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG HPGD 2210/4885NPC1 2756/4885RAB9A 1809/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG HPGD 2210/4885NPC1 2756/4885RAB9A 1809/4885
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma BSG, SELE, SELL HPGD 3628/4885NPC1 4593/4885RAB9A 755/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG HPGD 2210/4885NPC1 2756/4885RAB9A 1809/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG HPGD 2210/4885NPC1 2756/4885RAB9A 1809/4885

“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.

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