SCHEMBL4189734

SCHEMBL4189734

CC(C)(C)[Si](O/C(C(=O)O)=C(/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 1/20 0.33
KCNN4 O15554 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SMYD2 Q9NRG4 1/20 0.32
ABL1 P00519 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL4189737 1.00 ALDH1A1 (0.34) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL7599259 0.85 ALDH1A1 (0.36) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL476117 0.83 CES2 (0.38) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL10779129 0.82 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL8795081 0.81 ELANE (0.41) ALDH1A1TSHRTDP1HSD17B10KMT2A
SCHEMBL476116 0.81 TDP1 (0.34) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL5973451 0.80 HCAR2 (0.37) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL6072557 0.80 ABL1 (0.35) TSHRMAPTKCNN4CYP2C19HIF1A
SCHEMBL5974325 0.80 HCAR2 (0.37) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL6546547 0.80 CYP2C19 (0.35) ALDH1A1TSHRTDP1HSD17B10MAPT

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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885TSHR 4055/4885TDP1 3931/4885

“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.