SCHEMBL2230464

SCHEMBL2230464

CCOC1N(C2CCCCC2)CCN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 6/20 0.36
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL2233502 0.84 NPC1 (0.33) POLBALDH1A1THRBATML3MBTL1
SCHEMBL2230403 0.76 ABCB1 (0.32)
SCHEMBL15598967 0.68
SCHEMBL27447206 0.67 LMNA (0.33) ALDH1A1PHGDHMGLLLMNACYP2C9
SCHEMBL8444083 0.67 DPP4 (0.37) ALDH1A1TSHRPHGDHMGLLNPC1
Hydrochloric Acid SCHEMBL7772072 0.66 LMNA (0.33) ALDH1A1LMNACYP2C9CYP2C19KMT2A
SCHEMBL13990846 0.65 KMT2A (0.36) ALDH1A1PHGDHMGLLLMNACYP2C9
SCHEMBL12671513 0.64 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5150085 0.64 NPC1 (0.44) ALDH1A1THRBATML3MBTL1ACHE
SCHEMBL566591 0.64 NPC1 (0.44) ALDH1A1THRBATML3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US 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
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 POLB 1435/4885ALDH1A1 37/4885THRB 1721/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT POLB 214/4885ALDH1A1 113/4885THRB 478/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 POLB 535/4885ALDH1A1 182/4885THRB 711/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C POLB 2095/4885ALDH1A1 33/4885THRB 841/4885

“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.