SCHEMBL2046533

SCHEMBL2046533

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.40
PTGER2 P43116 3/20 0.40
PDE4D Q08499 8/20 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
SCHEMBL2046532 1.00 PTGIR (0.40) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL2046531 1.00 PTGIR (0.40) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL1114617 1.00 PTGIR (0.40) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL12571347 0.92 PTGIR (0.49) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL2047469 0.90 PDE4D (0.48) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL2047466 0.90 PDE4D (0.48) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL2047473 0.90 PDE4D (0.48) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL2047465 0.90 PDE4D (0.48) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL1111542 0.86 PDE4D (0.42) PTGIRPTGER2PDE4DKDM4EALDH1A1
SCHEMBL2053227 0.86 PDE4D (0.42) PTGIRPTGER2PDE4DKDM4EALDH1A1

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 5 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
WO-2008073752-A2 CYCLOBUTYL DERIVATIVES FOR THE TREATMENT OF GLAUCOMA ALLERGAN, INC. (US) 2008-06-19 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 (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 PTGIR 217/4885PTGER2 1580/4885PDE4D 374/4885
US-20100063303-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ABCB1 PTGIR 618/4885PTGER2 911/4885PDE4D 2714/4885

“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.