SCHEMBL21754423

SCHEMBL21754423

CO[C@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)CCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 10/20 0.78
PTGER3 P43115 4/20 0.78
ABCB11 O95342 2/20 0.66
AKR1C3 P42330 1/20 0.66
TBXA2R P21731 4/20 0.63
PTGER1 P34995 3/20 0.63
SLCO2A1 Q92959 2/20 0.61
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGDR Q13258 1/20 0.58
THRB P10828 1/20 0.55
PTGER2 P43116 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL25177987 0.91 PTGFR (0.75) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL25177988 0.91 PTGFR (0.75) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL13137214 0.91 ABCB11 (0.81) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL8647254 0.90 PTGFR (0.63) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL12087462 0.88 PTGFR (0.82) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL12138632 0.88 PTGFR (1.00) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL17377176 0.88 PTGFR (1.00) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL14957832 0.88 PTGFR (1.00) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL14599104 0.88 PTGFR (1.00) PTGFRPTGER3ABCB11AKR1C3TBXA2R
SCHEMBL15676006 0.88 PTGFR (1.00) PTGFRPTGER3ABCB11AKR1C3TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568878-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2020-02-25 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-10568878-B2 Combination therapy PTGS1, PTGS2, PTGIS PTGFR 12/4885PTGER3 11/4885ABCB11 802/4885

“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.