SCHEMBL13063347

SCHEMBL13063347

CC(=O)OC[C@H]1O[C@@H](Oc2cccc(OC(C)=O)c2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ P4HB P07237 1/20 0.53
▸ PDIA4 P13667 1/20 0.53
▸ PDIA3 P30101 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL12651482 0.84 P4HB (0.63) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL12651491 0.84 P4HB (0.63) P4HBPDIA4PDIA3TSHRHSD17B10
SCHEMBL12651644 0.83 KMT2A (0.53) MEN1CYP3A4KMT2AP4HBPDIA4
SCHEMBL8946122 0.83 TSHR (0.59) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20633976 0.83 P4HB (0.61) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL7744449 0.83 TSHR (0.59) MEN1CYP3A4KMT2AP4HBPDIA4
SCHEMBL8945980 0.82 TSHR (0.56) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20635289 0.82 TSHR (0.56) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL2338993 0.82 TSHR (0.56) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL8654501 0.82 P4HB (0.61) P4HBPDIA4PDIA3TSHRHSD17B10

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-8383088-B2 Coumestan-like antioxidants and UV absorbants BASF SE (DE) 2013-02-26 — — US disclosed
US-20100330009-A1 COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS CIBA CORPORATION (US) 2010-12-30 — — 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-20100330009-A1 COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS TYR, NQO1, SIRT3 MEN1 3538/4885CYP3A4 61/4885KMT2A 3660/4885

“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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