SCHEMBL21446038

SCHEMBL21446038

COc1cc(Cc2c(OC)cccc2OC)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.46
HTR7 P34969 2/20 0.45
CETP P11597 2/20 0.43
GAA P10253 1/20 0.42
SLC22A12 Q96S37 3/20 0.41
PDE10A Q9Y233 2/20 0.40
POLB P06746 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL12389920 0.85 CA2 (0.68) CA2ALDH1A1HTR7GAAPOLB
SCHEMBL14769223 0.80 CA2 (0.57) CA2ALDH1A1HTR7GAAPOLB
SCHEMBL16181225 0.79 CA2 (0.80) CA2ALDH1A1GAAPDE10APOLB
SCHEMBL19298171 0.76 CA2 (0.57) CA2ALDH1A1GAAPDE10ATUBB4A
SCHEMBL5250993 0.76 CA2 (0.55) CA2ALDH1A1CALM1
SCHEMBL4814597 0.76 TUBB1 (0.42) CA2ALDH1A1CETPTUBB1
SCHEMBL2563683 0.75 PTGS2 (0.54) CA2ALDH1A1GAAPOLBTUBB4A
SCHEMBL3728677 0.75 LTA4H (0.52) CA2ALDH1A1HTR7GAAPOLB
SCHEMBL5530511 0.74 HTR7 (0.64) CA2ALDH1A1HTR7GAAPOLB
SCHEMBL12366668 0.74 CA2 (0.53) CA2ALDH1A1HTR7GAAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084934-B2 Color material dispersion liquid, color resin composition, color filter, liquid crystal display device, and light-emitting display device DAI NIPPON PRINTING CO., LTD. (JP) 2021-08-10 US disclosed
US-20200148885-A1 COLOR MATERIAL DISPERSION LIQUID, COLORING RESIN COMPOSITION, COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE, AND LIGHT-EMITTING DISPLAY DEVICE DAI NIPPON PRINTING CO., LTD. (JP) 2020-05-14 US disclosed
US-10640456-B2 Compound and intermediate thereof DAI NIPPON PRINTING CO., LTD. (JP) 2020-05-05 US disclosed
US-20190308931-A1 COMPOUND AND INTERMEDIATE THEREOF DAI NIPPON PRINTING CO., LTD. (JP) 2019-10-10 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 (2 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-20190308931-A1 COMPOUND AND INTERMEDIATE THEREOF AHR, ARNT, NR1H2 CA2 4687/4885ALDH1A1 723/4885HTR7 803/4885
US-10640456-B2 Compound and intermediate thereof AHR, ARNT, NR1H2 CA2 4687/4885ALDH1A1 723/4885HTR7 803/4885

“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.