SCHEMBL811692

SCHEMBL811692

COC1N(c2c(C(C)C)cccc2C(C)C)C(C)C(C)N1c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 2/20 0.38
TSHR P16473 2/20 0.38
FAAH O00519 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 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
SCHEMBL813175 0.84 DPP4 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2232855 0.84 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2230449 0.81 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2TSHR
Bromide SCHEMBL6312266 0.80 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL6310658 0.80 DPP4 (0.44) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2231810 0.74 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL819976 0.68 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL820108 0.67 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13510544 0.67 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13510570 0.67 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344437-B1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2013-12-25 EP disclosed
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
EP-2344437-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
WO-2010041767-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 WO 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 GABRA1 2063/4885GABRG2 3487/4885GABRB3 2607/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT GABRA1 332/4885GABRG2 850/4885GABRB3 134/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 GABRA1 446/4885GABRG2 995/4885GABRB3 356/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C GABRA1 1131/4885GABRG2 1480/4885GABRB3 1456/4885

“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.