SCHEMBL1113396

SCHEMBL1113396

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.43
PTGER2 P43116 5/20 0.43
PTGER4 P35408 6/20 0.39
PTGER3 P43115 4/20 0.39
PTGER1 P34995 2/20 0.35
NR1I2 O75469 1/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TBXA2R P21731 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
PTGFR P43088 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL1113400 1.00 PTGIR (0.43) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL1113407 1.00 PTGIR (0.43) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL1113392 1.00 PTGIR (0.43) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL7247858 0.87 PTGER2 (0.37) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL7247862 0.87 PTGER2 (0.37) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL7582636 0.86 PTGER2 (0.46) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL2047473 0.84 PDE4D (0.48) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL2047466 0.84 PDE4D (0.48) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL2047465 0.84 PDE4D (0.48) PTGIRPTGER2PTGER4PTGER3PTGER1
SCHEMBL2047469 0.84 PDE4D (0.48) PTGIRPTGER2PTGER4PTGER3PTGER1

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 10 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-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-7960378-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-14 US disclosed
EP-2279169-A2 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2011-02-02 EP disclosed
US-20100063303-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2010-03-11 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-2009117467-A2 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-09-24 WO 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 PTGIR 217/4885PTGER2 1580/4885PTGER4 1403/4885
US-20100063303-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ABCB1 PTGIR 618/4885PTGER2 911/4885PTGER4 1252/4885

“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.