SCHEMBL1662289

SCHEMBL1662289

CCC(O)(CC)C(N)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AOC3 Q16853 1/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
SLC6A4 P31645 1/20 0.39
ACP3 P15309 2/20 0.38
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 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
SCHEMBL808899 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL808800 0.87 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL808809 0.84 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL27633084 0.84 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL808788 0.84 METAP2 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL809130 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL808962 0.82 KMT2A (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL808922 0.82 ACP3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL4341912 0.82 ACP3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL9491318 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 (3 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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R ALDH1A1 2265/4885CYP1A2 379/4885CYP2C9 672/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 ALDH1A1 1303/4885CYP1A2 791/4885CYP2C9 1613/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R ALDH1A1 2265/4885CYP1A2 379/4885CYP2C9 672/4885

“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.