Silicristin B

Silicristin B

SCHEMBL20152103

COc1cc([C@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3[C@@H]2CO)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLCO1B3 Q9NPD5 4/20 1.00
SLCO1B1 Q9Y6L6 4/20 1.00
SLCO2B1 O94956 3/20 1.00
MAPT P10636 5/20 0.67
CYP2C9 P11712 4/20 0.67
CYP3A4 P08684 4/20 0.67
ALOX15 P16050 4/20 0.67
HSD17B10 Q99714 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
KDM4E B2RXH2 2/20 0.67
MEN1 O00255 2/20 0.67
ALOX12 P18054 2/20 0.67
KMT2A Q03164 2/20 0.67
GAA P10253 2/20 0.67
HIF1A Q16665 2/20 0.67
CYP2C19 P33261 1/20 0.67
F2 P00734 1/20 0.67
PLAU P00749 1/20 0.67
TP53 P04637 1/20 0.67

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
Silicristin A SCHEMBL22571311 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin A SCHEMBL29977624 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin SCHEMBL29388135 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin A SCHEMBL971442 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin B SCHEMBL29420864 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin A SCHEMBL12871270 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin A SCHEMBL10049339 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
Silicristin A SCHEMBL4654076 1.00 SLCO1B3 (1.00) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
SCHEMBL17663663 0.96 SLCO1B3 (0.92) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9
SCHEMBL17663665 0.95 SLCO1B3 (0.90) SLCO1B3SLCO1B1SLCO2B1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10702568-B2 Compositions containing silymarin and sulfoalkyl ether cyclodextrin and methods of using the same CYDEX PHARMACEUTICALS, INC. (US) 2020-07-07 US disclosed
US-20180133274-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-05-17 US disclosed
US-20180133274-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-05-17 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 (2 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-10702568-B2 Compositions containing silymarin and sulfoalkyl ether cyclodextrin and methods of using the same GYS2, SDCBP, PYGL SLCO1B3 3765/4885SLCO1B1 3490/4885SLCO2B1 3833/4885
US-20180133274-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME GYS2, SDCBP, PYGL SLCO1B3 3765/4885SLCO1B1 3490/4885SLCO2B1 3833/4885

“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.