SCHEMBL10148601

SCHEMBL10148601

CC(=O)OCC1O[C@H](C)C(OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ LMNA P02545 2/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PTPN1 P18031 1/20 0.46
▸ CA12 O43570 6/20 0.45
▸ CA1 P00915 6/20 0.45
▸ CA2 P00918 6/20 0.45
▸ CA4 P22748 6/20 0.45
▸ CA5A P35218 6/20 0.45
▸ CA7 P43166 6/20 0.45
▸ CA5B Q9Y2D0 6/20 0.45
▸ CA6 P23280 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ CA13 Q8N1Q1 4/20 0.45
▸ CA14 Q9ULX7 4/20 0.45
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL19976436 1.00 TSHR (0.59) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL19976470 0.95 TSHR (0.59) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL19976435 0.95 TSHR (0.62) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL24378390 0.91 TSHR (0.50) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL27300740 0.91 TSHR (0.50) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL20281028 0.91 TSHR (0.50) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL7572133 0.88 LMNA (0.63) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL17502040 0.88 LMNA (0.63) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL21219187 0.88 TSHR (0.59) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL970376 0.88 LMNA (0.63) TSHRLMNAKMT2AALDH1A1CYP2D6

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-9243018-B2 Synthetic heparin pentasaccharides DR. REDDY'S LABORATORIES, SA (CH) 2016-01-26 — — US disclosed
US-20150005485-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2015-01-01 — — US disclosed
US-20120220759-A1 SYNTHETIC HEPARIN DISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-30 — — US disclosed
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-16 — — US disclosed
US-8114970-B2 Synthetic heparin monosaccharides ALCHEMIA LIMITED (AU) 2012-02-14 — — US disclosed
US-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2009-07-23 — — US disclosed
US-7541445-B2 Synthetic heparin pentasaccharides ALCHEMIA LIMITED (AU) 2009-06-02 — — 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-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A TSHR 821/4885LMNA 3969/4885KMT2A 3396/4885
US-20120220759-A1 SYNTHETIC HEPARIN DISACCHARIDES HPSE, DDOST, STT3A TSHR 882/4885LMNA 3999/4885KMT2A 3285/4885
US-20150005485-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A TSHR 807/4885LMNA 4043/4885KMT2A 3247/4885
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES HPSE, SERPINC1, DDOST TSHR 699/4885LMNA 3666/4885KMT2A 3057/4885

“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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