SCHEMBL19804249

SCHEMBL19804249

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)c(CC)c2)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
BACE1 P56817 3/20 0.35
HSD17B1 P14061 1/20 0.35
EGFR P00533 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PTGS1 P23219 1/20 0.33
SRD5A2 P31213 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACACA Q13085 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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 0.98 HSD17B1 (0.36) MMP2MMP3BACE1HSD17B1EGFR
SCHEMBL19804248 0.91 DCLRE1A (0.38) BACE1HSD17B1EGFRCYP4F2CYP4A11
SCHEMBL19804259 0.91 MMP2 (0.35) MMP2MMP3BACE1HSD17B1EGFR
SCHEMBL19804455 0.89 PTGER1 (0.35) MMP2MMP3BACE1HSD17B1EGFR
SCHEMBL19804359 0.89 RARA (0.37) MMP2MMP3BACE1HSD17B1EGFR
SCHEMBL19804309 0.87 ESR2 (0.39) MMP2MMP3HSD17B1EGFRPPARG
SCHEMBL19804304 0.87 RARA (0.37) MMP2MMP3HSD17B1EGFRPDE1A
SCHEMBL19804029 0.86 PTGS1 (0.39) EGFRPTGS1MEN1KMT2ALMNA
SCHEMBL19804620 0.86 PTGS1 (0.39) EGFRPTGS1MEN1KMT2ALMNA
SCHEMBL19804266 0.86 EGFR (0.36) MMP2MMP3EGFRCYP4F2CYP4A11

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 3273/4885BACE1 527/4885

“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.