SCHEMBL19804359

SCHEMBL19804359

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
PTGER4 P35408 3/20 0.36
PTGER3 P43115 3/20 0.36
PTGER1 P34995 2/20 0.36
PTGER2 P43116 2/20 0.36
EGFR P00533 2/20 0.34
HSD17B1 P14061 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PTGS1 P23219 1/20 0.33
BACE1 P56817 1/20 0.32
DCLRE1A Q6PJP8 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
SCHEMBL19804259 0.98 MMP2 (0.35) RARARARBRARGPTGER4PTGER3
SCHEMBL19804304 0.94 RARA (0.37) RARARARBRARGPTGER4PTGER3
SCHEMBL19804039 0.92 DCLRE1A (0.37) RARARARBRARGHSD17B1HDAC3
SCHEMBL19804455 0.91 PTGER1 (0.35) RARARARBRARGPTGER4PTGER3
SCHEMBL19804361 0.91 HSD17B1 (0.36) RARARARBRARGPTGER4PTGER3
SCHEMBL19804281 0.90 ESR2 (0.37) RARARARBRARGPTGER4PTGER3
SCHEMBL19804042 0.90 RARA (0.36) RARARARBRARGPTGER4PTGER3
SCHEMBL19804275 0.89 PTGS1 (0.38) RARARARBRARGPTGS1
SCHEMBL19804719 0.89 RARB (0.35) RARARARBRARGPTGER4PTGER3
SCHEMBL19804249 0.89 MMP2 (0.36) EGFRHSD17B1MMP2MMP3PDE1A

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 RARA 3585/4885RARB 3517/4885RARG 3736/4885

“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.