SCHEMBL2400907

SCHEMBL2400907

CCCC(=O)C(=O)[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.48
CES2 O00748 7/20 0.48
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 1/20 0.30
CA1 P00915 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
SCHEMBL108642 0.68 CES1 (1.00) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL8644662 0.67 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL5553526 0.67 CES1 (0.46) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL18691971 0.65 TDP1 (0.30)
SCHEMBL6650435 0.65 CES1 (0.58) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL1462669 0.64 CES2 (0.63) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL16940468 0.64 CES1 (0.63) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL10936238 0.63 CES1 (0.73) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL10532393 0.63 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL6309457 0.62 ALDH1A1 (0.46) CES1CES2HDAC3HDAC1HDAC2

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
US-8026349-B2 Polynucleotide synthesis labeling chemistry DHARMACON, INC. (US) 2011-09-27 US disclosed
US-20080009612-A1 Novel Polynucleotide Synthesis Labeling Chemistry DHARMACON, INC. 2008-01-10 US disclosed
EP-1788875-A2 NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY Dharmacon, Inc. (US) 2007-05-30 EP disclosed
WO-2006033730-A2 NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY DHARMACON, INC. (US) 2006-03-30 WO 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-20080009612-A1 Novel Polynucleotide Synthesis Labeling Chemistry POLN, POLRMT, POLM CES1 3311/4885CES2 1341/4885HDAC3 3914/4885

“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.