SCHEMBL2047465

SCHEMBL2047465

CCC1(C(C/C=C/[C@@H]2[C@@H](C/C=C/CCCC(=O)OC)[C@@H](O)C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
PTGIR P43119 4/20 0.45
PTGER2 P43116 3/20 0.45
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38

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
SCHEMBL2047473 1.00 PDE4D (0.48) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL2047466 1.00 PDE4D (0.48) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL2047469 1.00 PDE4D (0.48) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL8079368 0.92 PTGER2 (0.54) PDE4DALDH1A1PTGIRPTGER2PTGER1
SCHEMBL7583983 0.92 PTGER2 (0.54) PDE4DALDH1A1PTGIRPTGER2PTGER1
SCHEMBL2046533 0.90 PTGIR (0.40) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL1114617 0.90 PTGIR (0.40) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL2046531 0.90 PTGIR (0.40) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL2046532 0.90 PTGIR (0.40) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL2053223 0.89 PDE4D (0.42) PDE4DKDM4EALDH1A1HKDC1TDP1

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 374/4885KDM4E 2791/4885ALDH1A1 563/4885
US-20100063303-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ABCB1 PDE4D 2714/4885KDM4E 4109/4885ALDH1A1 268/4885

“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.