SCHEMBL4707216

SCHEMBL4707216

CC(C)[Si](O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)cn1)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
TP53 P04637 3/20 0.36
MDM2 Q00987 3/20 0.36
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 1/20 0.30
FAAH O00519 2/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
STS P08842 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL4710400 0.88 GRM5 (0.31)
SCHEMBL4706196 0.87 ALDH1A1 (0.33) MEN1KMT2ASTS
SCHEMBL4189478 0.79 GPR119 (0.35)
SCHEMBL4189483 0.79 GPR119 (0.35)
SCHEMBL4189470 0.79 GPR119 (0.35)
SCHEMBL4180237 0.78 GPR119 (0.36)
SCHEMBL4180242 0.78 GPR119 (0.36)
SCHEMBL4180233 0.78 GPR119 (0.36)
SCHEMBL7772596 0.78 ELANE (0.46)
SCHEMBL2447629 0.76 GRM5 (0.37) CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221445-B1 PENTACYCLIC TAXANE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2008-08-20 EP disclosed
US-6677456-B2 AS ANTITUMOR COMPOUND; CAN BE ORALLY ADMINISTERED DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
US-20020143178-A1 Pentacyclic taxan compound DAIICHI PHARMACEUTICAL CO., LTD. 2002-10-03 US disclosed
EP-1221445-A1 PENTACYCLIC TAXANE COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP 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-20020143178-A1 Pentacyclic taxan compound TUBB6, TUBB1, TUBA1A TRPA1 3740/4885TP53 70/4885MDM2 720/4885

“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.