SCHEMBL6010223

SCHEMBL6010223

CC(=O)C(=O)CCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
MAPK1 P28482 1/20 0.64
ADRA1A P35348 1/20 0.64
SLC6A3 Q01959 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PLAAT3 P53816 6/20 0.59
PLAAT5 Q96KN8 6/20 0.59
PLAAT2 Q9NWW9 6/20 0.59
PLAAT4 Q9UL19 6/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL108977 0.88 ALDH1A1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL710419 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5566614 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL110777 0.83 ALDH1A1 (0.76) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL10571421 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL27883793 0.82 HDAC1 (0.88) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL27900207 0.81 HDAC1 (0.95) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5020740 0.80 ALDH1A1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8640745 0.80 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7640251 0.79 PLAAT3 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315930-A1 PASTE-FORM TWO-PACK TYPE DENTAL CURABLE COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2024-09-26 US disclosed
EP-4413966-A1 PASTE-FORM TWO-PART CURABLE COMPOSITION FOR DENTAL USE Kuraray Noritake Dental Inc. (JP) 2024-08-14 EP disclosed
CN-109879772-B Benzylaminoyl derivative and application thereof in preparation of anti-inflammatory drugs 中国科学院成都生物研究所 2022-03-29 CN disclosed
US-10758457-B2 Curable composition and dental filling restorative material TOKUYAMA DENTAL CORPORATION (JP) 2020-09-01 US disclosed
EP-3369410-B1 CURABLE COMPOSITION, CURABLE COMPOSITION FOR DENTAL USE, AND ORGANIC-INORGANIC COMPOSITE PARTICLES FOR DENTAL USE TOKUYAMA DENTAL CORP (JP) 2020-07-01 EP disclosed
US-10653586-B2 Curable composition, curable composition for dental use, and organic-inorganic composite particles for dental use TOKUYAMA DENTAL COOPERATION (JP) 2020-05-19 US disclosed
US-20190038515-A1 CURABLE COMPOSITION, CURABLE COMPOSITION FOR DENTAL USE, AND ORGANIC-INORGANIC COMPOSITE PARTICLES FOR DENTAL USE TOKUYAMA DENTAL CORPORATION (JP) 2019-02-07 US disclosed
US-20180303721-A1 CURABLE COMPOSITION AND DENTAL FILLING RESTORATIVE MATERIAL TOKUYAMA DENTAL CORPORATION (JP) 2018-10-25 US disclosed
EP-3369410-A1 CURABLE COMPOSITION, CURABLE COMPOSITION FOR DENTAL USE, AND ORGANIC-INORGANIC COMPOSITE PARTICLES FOR DENTAL USE Tokuyama Dental Corporation (JP) 2018-09-05 EP disclosed
EP-3366269-A1 CURABLE COMPOSITION AND DENTAL FILLING RESTORATIVE MATERIAL Tokuyama Dental Corporation (JP) 2018-08-29 EP disclosed
US-9228035-B2 Photo-curable nanoimprint composition, method for formatting pattern using the composition, and nanoimprint replica mold comprising cured product of the composition TOKUYAMA CORPORATION (JP) 2016-01-05 US disclosed
US-20060004107-A1 Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same OJIMA MASANORI 2006-01-05 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-20240315930-A1 PASTE-FORM TWO-PACK TYPE DENTAL CURABLE COMPOSITION TIPRL, STAU1, CALCOCO2 HDAC1 2697/4885HDAC3 3697/4885HDAC2 2291/4885
US-20060004107-A1 Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same TBXA2R, PTAFR, PTGIR HDAC1 4615/4885HDAC3 3623/4885HDAC2 4271/4885

“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.