SCHEMBL19804259

SCHEMBL19804259

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)c(CC)c2)ccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
EGFR P00533 2/20 0.33
BACE1 P56817 2/20 0.33
HSD17B1 P14061 1/20 0.33
FFAR1 O14842 3/20 0.33
FFAR4 Q5NUL3 3/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PTGER4 P35408 3/20 0.32
PTGER3 P43115 3/20 0.32
PTGER1 P34995 2/20 0.32
PTGER2 P43116 2/20 0.32
SRD5A2 P31213 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
SCHEMBL19804359 0.98 RARA (0.37) MMP2MMP3RARARARBRARG
SCHEMBL19804455 0.93 PTGER1 (0.35) MMP2MMP3RARARARBRARG
SCHEMBL19804039 0.92 DCLRE1A (0.37) RARARARBRARGBACE1HSD17B1
SCHEMBL19804304 0.91 RARA (0.37) MMP2MMP3RARARARBRARG
SCHEMBL19804249 0.91 MMP2 (0.36) MMP2MMP3EGFRBACE1HSD17B1
SCHEMBL19804361 0.89 HSD17B1 (0.36) MMP2MMP3RARARARBRARG
SCHEMBL19804281 0.88 ESR2 (0.37) RARARARBRARGEGFRHSD17B1
SCHEMBL19804732 0.88 PTGS1 (0.38) EGFRFFAR1
SCHEMBL19804042 0.88 RARA (0.36) MMP2MMP3RARARARBRARG
SCHEMBL19804275 0.87 PTGS1 (0.38) RARARARBRARGFFAR1

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 MMP2 3416/4885MMP3 3273/4885RARA 3585/4885

“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.