SCHEMBL14705244

SCHEMBL14705244

CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)O)cc2N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL25721222 0.88 TSHR (0.51) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL25785178 0.88 P4HB (0.52) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL25726255 0.88 P4HB (0.52) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL25721227 0.88 P4HB (0.52) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL25721339 0.88 P4HB (0.52) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL24297576 0.88 P4HB (0.52) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL25721211 0.88 CA12 (0.56) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL26714108 0.88 CA12 (0.56) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL13942270 0.87 HSD17B10 (0.50) TSHRHSD17B10CYP2D6THRBMEN1
SCHEMBL22631568 0.87 HSD17B10 (0.50) TSHRHSD17B10CYP2D6THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130039904-A1 GAMBOGIC ACID CYCLIZATION ANALOGUES, THEIR PREPARATION METHOD AND APPLICATION THEREOF LIAONING LIFENG SCIENTIFIC & TECHNOLOGY DEVELOPMENT COMPANY LTD. (CN) 2013-02-14 — — 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-20130039904-A1 GAMBOGIC ACID CYCLIZATION ANALOGUES, THEIR PREPARATION METHOD AND APPLICATION THEREOF IFNG, OXGR1, TLR7 TSHR 1715/4885HSD17B10 673/4885CYP2D6 427/4885

“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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