SCHEMBL2053227

SCHEMBL2053227

CCC1(C(CC=C[C@H]2[C@@H](CC=CCCCC(=O)OC)[C@H](OS(C)(=O)=O)C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.42
PTGIR P43119 4/20 0.39
PTGER2 P43116 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33

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
SCHEMBL2053223 1.00 PDE4D (0.42) PDE4DPTGIRPTGER2KDM4EALDH1A1
SCHEMBL1111542 1.00 PDE4D (0.42) PDE4DPTGIRPTGER2KDM4EALDH1A1
SCHEMBL2053225 1.00 PDE4D (0.42) PDE4DPTGIRPTGER2KDM4EALDH1A1
SCHEMBL4734793 0.93 PTGER2 (0.47) PDE4DPTGIRPTGER2ALDH1A1PTGER1
SCHEMBL4734798 0.93 PTGER2 (0.47) PDE4DPTGIRPTGER2ALDH1A1PTGER1
SCHEMBL4734797 0.93 PTGER2 (0.47) PDE4DPTGIRPTGER2ALDH1A1PTGER1
SCHEMBL2047473 0.89 PDE4D (0.48) PDE4DPTGIRPTGER2KDM4EALDH1A1
SCHEMBL2047466 0.89 PDE4D (0.48) PDE4DPTGIRPTGER2KDM4EALDH1A1
SCHEMBL2047465 0.89 PDE4D (0.48) PDE4DPTGIRPTGER2KDM4EALDH1A1
SCHEMBL2047469 0.89 PDE4D (0.48) PDE4DPTGIRPTGER2KDM4EALDH1A1

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-8193373-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-06-05 US disclosed
US-7960378-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-20100063303-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2010-03-11 US disclosed
US-20090239930-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-09-24 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-20090239930-A1 THERAPEUTIC COMPOUNDS GBA1, ACER2, SLC10A1 PDE4D 374/4885PTGIR 217/4885PTGER2 1580/4885
US-20100063303-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ABCB1 PDE4D 2714/4885PTGIR 618/4885PTGER2 911/4885

“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.