SCHEMBL2233502

SCHEMBL2233502

CCCOC1N(C2CCCCC2)CCN1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2230464 0.84 POLB (0.37) NPC1POLBALDH1A1PHGDHMGLL
SCHEMBL2230403 0.73 ABCB1 (0.32)
SCHEMBL15598959 0.70
Methyl Alcohol SCHEMBL11197540 0.69 NPC1 (0.48) NPC1
SCHEMBL6381815 0.68 NPC1 (0.52) NPC1
SCHEMBL190984 0.68 NPC1 (0.52) NPC1
SCHEMBL9129950 0.68 NPC1 (0.52) NPC1
SCHEMBL9128685 0.68 NPC1 (0.52) NPC1
SCHEMBL17885048 0.68 NPC1 (0.52) NPC1
SCHEMBL6383373 0.68 NPC1 (0.52) NPC1

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
CN-102177125-B Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL CO 2013-10-30 CN disclosed
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
CN-103159653-A Method for producing methionine SUMITOMO CHEMICAL CO 2013-06-19 CN disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
CN-103080064-A Process for producing carboxylic acid ester SUMITOMO CHEMICAL CO 2013-05-01 CN disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-8350051-B2 Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
CN-102177125-A Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL CO 2011-09-07 CN disclosed
US-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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 (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-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND BCKDK, PDK4, HK1 NPC1 2713/4885POLB 1435/4885DPP4 2104/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT NPC1 3887/4885POLB 214/4885DPP4 2964/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 NPC1 3601/4885POLB 535/4885DPP4 2707/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C NPC1 3528/4885POLB 2095/4885DPP4 4667/4885

“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.