SCHEMBL3056281

SCHEMBL3056281

O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 17/20 0.79
PTGER3 P43115 5/20 0.79
THRB P10828 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
TBXA2R P21731 4/20 0.57
PTGER1 P34995 3/20 0.57
PTGER2 P43116 3/20 0.57
PTGER4 P35408 2/20 0.56
PTGIR P43119 2/20 0.56
NR1I2 O75469 1/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
OPRK1 P41145 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL29392750 1.00 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3056284 1.00 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3056287 1.00 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3048380 0.91 THRB (0.65) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3048378 0.91 THRB (0.65) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3048382 0.91 THRB (0.65) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3048330 0.90 THRB (0.65) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3048327 0.90 THRB (0.65) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3046147 0.90 PTGFR (0.76) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3048324 0.90 THRB (0.65) PTGFRPTGER3THRBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 US claimed
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 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 (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-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS PTGER1, PGF, PTGER2 PTGFR 6/4885PTGER3 9/4885THRB 2765/4885

“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.