SCHEMBL991969

SCHEMBL991969

COC(=O)C(=O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
PLAAT5 Q96KN8 4/20 0.56
PLAAT4 Q9UL19 4/20 0.56
KEAP1 Q14145 1/20 0.55
PLAAT3 P53816 3/20 0.55
PLAAT2 Q9NWW9 3/20 0.55
HDAC2 Q92769 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FFAR1 O14842 1/20 0.52
CMA1 P23946 1/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
HDAC1 Q13547 4/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 3/20 0.49

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
SCHEMBL313265 0.90 FFAR1 (0.61) PLAAT5PLAAT4PLAAT3PLAAT2HDAC2
SCHEMBL7640251 0.89 PLAAT3 (0.58) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL7634822 0.87 PLAAT3 (0.59) PLAAT5PLAAT4PLAAT3PLAAT2HDAC2
SCHEMBL20897266 0.87 KEAP1 (0.55) ALDH1A1PLAAT5PLAAT4KEAP1PLAAT3
SCHEMBL7643149 0.86 MAPT (0.61) PLAAT5PLAAT4PLAAT3PLAAT2HDAC2
SCHEMBL7641938 0.86 MAPT (0.61) PLAAT5PLAAT4PLAAT3PLAAT2HDAC2
SCHEMBL6943718 0.83 PLAAT5 (0.48) ALDH1A1PLAAT5PLAAT4KEAP1PLAAT3
SCHEMBL9296831 0.83 PLAAT5 (0.48) ALDH1A1PLAAT5PLAAT4KEAP1PLAAT3
SCHEMBL8748206 0.83 PLAAT5 (0.48) ALDH1A1PLAAT5PLAAT4KEAP1PLAAT3
SCHEMBL12396191 0.82 ALDH1A1 (0.50) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104250236-B γ hydrocarbon oxygen sulfonylmethyl gamma butyrolactone, the synthetic method of δ hydrocarbon oxygen sulfonylmethyl δ valerolactone 大连大学 2017-03-01 CN disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
CN-102906261-A Mutant reductase SUMITOMO CHEMICAL CO 2013-01-30 CN disclosed
WO-2011009849-A2 METHOD FOR PREPARING OPTICALLY ACTIVE HYDROXY ACID ESTERS BASF SE (DE) 2011-01-27 WO disclosed
EP-1437401-B1 Oxidoreductase IEP GMBH (DE) 2010-12-15 EP disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
EP-1762625-B1 Reductase gene and use thereof SUMITOMO CHEMICAL CO (JP) 2009-07-15 EP disclosed
US-7524666-B2 Reductase gene and use thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-04-28 US disclosed
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4661479-A ENZYME INHIBITORS MERCK AND CO., INC. (US) 1987-04-28 US disclosed
US-4617301-A Sulfoxide and sulfone derivatives of bicyclic lactams as antihypertensives MERCK & CO., INC. (US) 1986-10-14 US disclosed
EP-0061187-B1 BICYCLIC LACTAMS AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-08-20 EP disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-B1 BICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-05 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-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 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 (1 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-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA HNMT, AADAT, DAO ALDH1A1 509/4885PLAAT5 2695/4885PLAAT4 2673/4885

“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.