SCHEMBL5079740

SCHEMBL5079740

CC(=O)c1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
PDK1 Q15118 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ELANE P08246 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
PBRM1 Q86U86 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
BCAT2 O15382 1/20 0.38

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
SCHEMBL15445468 0.91 ELANE (0.47) ELANEALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL5058742 0.84 ALDH1A1 (0.45) ELANEALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL279655 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL16470694 0.82 ELANE (0.41) ELANEALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL5847579 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL16722809 0.81 ALDH1A1 (0.47) ELANEALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL6375203 0.81 PDK2 (0.40) PDK2PDK1PDK3PDK4ELANE
SCHEMBL6604550 0.80 CES1 (0.50) PDK2PDK1PDK3PDK4ALDH1A1
SCHEMBL7596837 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL11373632 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230034284-A1 FUNCTIONALIZED N-ACETYLGALACTOSAMINE NUCLEOSIDES HONGENE BIOTECH CORPORATION 2023-02-02 US disclosed
US-20210371579-A1 VEGETABLE OIL-DERIVED EPOXY COMPOSITIONS HAVING IMPROVED PERFORMANCE WASHINGTON STATE UNIVERSITY 2021-12-02 US disclosed
US-20210154307-A1 CATIONIC NANOSTRUCTURES FOR INTRA-CARTILAGE DELIVERY OF THERAPEUTICS AND CONTRAST AGENTS NORTHEASTERN UNIVERSITY 2021-05-27 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20090076032-A1 Derivatives of 18Beta-Glycyrrhetinic Acid VAMPEX LIMITED (GB) 2009-03-19 US disclosed
US-7405252-B2 Vinyl chloride resin composition ADEKA CORPORATION (JP) 2008-07-29 US disclosed
US-20070100049-A1 Vinyl Chlodride Resin Composition ADEKA CORPORATION (JP) 2007-05-03 US disclosed
EP-1693414-A1 VINYL CHLORIDE RESIN COMPOSITION Asahi Denka Co., Ltd. (JP) 2006-08-23 EP 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 (4 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 PDK2 3493/4885PDK1 1864/4885PDK3 2886/4885
US-20090076032-A1 Derivatives of 18Beta-Glycyrrhetinic Acid ALDH1A2, HSD17B1, ADH1B PDK2 612/4885PDK1 496/4885PDK3 907/4885
US-20210154307-A1 CATIONIC NANOSTRUCTURES FOR INTRA-CARTILAGE DELIVERY OF THERAPEUTICS AND CONTRAST AGENTS MMP1, MATR3, TIMP3 PDK2 4466/4885PDK1 2450/4885PDK3 3409/4885
US-20230034284-A1 FUNCTIONALIZED N-ACETYLGALACTOSAMINE NUCLEOSIDES FUT6, B3GNT2, GALNT6 PDK2 2278/4885PDK1 2979/4885PDK3 3132/4885

“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.