SCHEMBL7060693

SCHEMBL7060693

CC(C)(C)OC(=O)C(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KEAP1 Q14145 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
PLAAT5 Q96KN8 4/20 0.47
PLAAT4 Q9UL19 4/20 0.47
FFAR1 O14842 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PLAAT3 P53816 3/20 0.44
PLAAT2 Q9NWW9 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43

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
SCHEMBL7277798 0.90 HDAC1 (0.53) ALDH1A1TDP1PLAAT5PLAAT4NPC1
SCHEMBL27871609 0.87 ALDH1A1 (0.46) ALDH1A1KEAP1TDP1KMT2AL3MBTL1
SCHEMBL7321922 0.85 PLAAT3 (0.47) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL6942862 0.84 CA12 (0.46) ALDH1A1KEAP1PLAAT5PLAAT4PLAAT3
SCHEMBL7303712 0.83 ALDH1A1 (0.49) ALDH1A1KEAP1TDP1KMT2AL3MBTL1
SCHEMBL7278868 0.82 CES1 (0.57) ALDH1A1KMT2AL3MBTL1MEN1HDAC8
SCHEMBL1380801 0.82 TDP1 (0.61) ALDH1A1KEAP1TDP1KMT2AL3MBTL1
SCHEMBL7061341 0.81 ALDH1A1 (0.46) ALDH1A1KEAP1TDP1KMT2AL3MBTL1
SCHEMBL991969 0.80 ALDH1A1 (0.57) ALDH1A1KEAP1TDP1HTTPLAAT5
SCHEMBL7061884 0.80 TDP1 (0.50) ALDH1A1KEAP1TDP1KMT2AL3MBTL1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2023-10-31 US disclosed
US-20230295673-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-09-21 US disclosed
US-20180187221-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-07-05 US disclosed
US-9932613-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2018-04-03 US disclosed
US-20180066292-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-20170355966-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS, INC. (US) 2017-12-14 US disclosed
US-9828614-B1 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-11-28 US disclosed
US-9822346-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-11-21 US disclosed
US-9803224-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-10-31 US disclosed
US-20170268028-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-09-21 US disclosed
EP-0061187-B1 BICYCLIC LACTAMS AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-08-20 EP disclosed
US-4587050-A Substituted enantholactam derivatives as antihypertensives MERCK & CO., INC. (US) 1986-05-06 US disclosed
EP-0166354-A2 Benzofused lactam compounds and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP disclosed
EP-0166357-A2 Benzofused lactams and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP disclosed
EP-0046291-B1 SUBSTITUTED CAPROLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-12-27 EP disclosed
EP-0107095-A1 1-N-alkylcarboxy-benzofused lactams useful as antihypertensive agents MERCK & CO. INC. (US) 1984-05-02 EP disclosed
US-4415496-A HYPOTENSIVE AGENTS; 5-OXOTHIAZOLO/3,2-A/AZEPINE DERIVATIVES FROM A PHTHALIMIDE MERCK & CO., INC. (US) 1983-11-15 US disclosed
EP-0061187-A1 Bicyclic lactams as antihypertensives MERCK & CO. INC. (US) 1982-09-29 EP disclosed
EP-0046289-A2 Substituted enantholactam derivatives as antihypertensives, a process for preparing and a pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 EP disclosed
EP-0046291-A2 Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 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 (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-20170355966-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS AKR1C4, AKR7A2, AKR1C2 ALDH1A1 162/4885KEAP1 737/4885TDP1 2043/4885
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds AKR1C4, AKR7A2, AKR1C2 ALDH1A1 162/4885KEAP1 737/4885TDP1 2043/4885

“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.