SCHEMBL19804455

SCHEMBL19804455

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)c(CC)c2)ccc1CCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
RARA P10276 4/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
S1PR1 P21453 2/20 0.33
CYP2C9 P11712 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
PPARA Q07869 1/20 0.32
EGFR P00533 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
BACE1 P56817 1/20 0.32
HSD17B1 P14061 1/20 0.32

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
SCHEMBL19804304 0.98 RARA (0.37) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804259 0.93 MMP2 (0.35) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804719 0.93 RARB (0.35) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804359 0.91 RARA (0.37) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804249 0.89 MMP2 (0.36) MMP2MMP3PPARAEGFRCYP4F2
SCHEMBL19804446 0.89 RARA (0.37) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804323 0.89 RARA (0.37) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804043 0.89 ESR2 (0.36) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804080 0.88 PTGER1 (0.35) PTGER1PTGER4PTGER3PTGER2RARA
SCHEMBL19804453 0.88 PTGS1 (0.36) PTGER1PTGER4PTGER3PTGER2RARA

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 PTGER1 1764/4885PTGER4 2215/4885PTGER3 3498/4885

“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.