SCHEMBL19804248

SCHEMBL19804248

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2)ccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1A Q6PJP8 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
PTGS1 P23219 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.35
HSD17B1 P14061 1/20 0.35
EGFR P00533 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
GFER P55789 1/20 0.35
HDAC1 Q13547 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ELANE P08246 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL19804361 0.92 HSD17B1 (0.36) DCLRE1ADCLRE1BPTGS1BACE1HSD17B1
SCHEMBL19804249 0.91 MMP2 (0.36) PTGS1MAPTLMNAGAABACE1
SCHEMBL19804309 0.91 ESR2 (0.39) PTGS1HSD17B1EGFR
SCHEMBL19804620 0.90 PTGS1 (0.39) PTGS1MAPTLMNAEGFR
SCHEMBL19804029 0.90 PTGS1 (0.39) PTGS1MAPTLMNAEGFR
SCHEMBL19804039 0.90 DCLRE1A (0.37) DCLRE1ADCLRE1BPTGS1MAPTTDP1
SCHEMBL19804062 0.89 HSD17B1 (0.35) LMNAGAASMN1; SMN2HSD17B1KDM4E
SCHEMBL19804339 0.88 MAPT (0.39) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL19804031 0.87 THRB (0.38) DCLRE1ADCLRE1BPTGS1MAPTTDP1
SCHEMBL15338832 0.85 HSD17B1 (0.39) TDP1GAAHSD17B1ELANE

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 DCLRE1A 2107/4885DCLRE1B 2958/4885PTGS1 4342/4885

“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.