SCHEMBL17330729

SCHEMBL17330729

CC(O)C[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CYP2A6 P11509 1/20 0.39
AHR P35869 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 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
SCHEMBL7220754 0.81 ALDH1A1 (0.42) HTR2ALMNAALDH1A1TSHRCYP2A6
SCHEMBL543436 0.81 HTR2A (0.47) HTR2ALMNAALDH1A1TSHRCYP2A6
Benzaldehyde SCHEMBL8953915 0.79 ALDH1A1 (0.54) HTR2ALMNAALDH1A1TSHRCYP2A6
SCHEMBL7386549 0.78 JUN (0.36) KDM4ECYP3A4
SCHEMBL19604562 0.78 HTR2A (0.66) HTR2ATSHRAHR
SCHEMBL5475689 0.78 HTR2A (0.66) HTR2ATSHRAHR
SCHEMBL21189126 0.78 HTR2A (0.66) HTR2ATSHRAHR
SCHEMBL5475692 0.78 HTR2A (0.66) HTR2ATSHRAHR
SCHEMBL16956846 0.78 TP53 (0.52) LMNAALDH1A1KDM4E
SCHEMBL4351016 0.77 HTR2A (0.64) HTR2ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2018-08-07 US disclosed
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2015-12-17 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-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device NR1D1, NR1H2, NR1D2 HTR2A 1135/4885LMNA 1344/4885ALDH1A1 3058/4885
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE NR1D1, NR1H2, NR1D2 HTR2A 1135/4885LMNA 1344/4885ALDH1A1 3058/4885

“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.