SCHEMBL1014529

SCHEMBL1014529

COC(=O)CC(=O)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 5/20 0.43
HSD17B10 Q99714 4/20 0.40
TET2 Q6N021 1/20 0.38
LMNA P02545 3/20 0.37
RECQL P46063 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
USP2 O75604 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
SCHEMBL167149 0.81
SCHEMBL27536067 0.81 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL14282026 0.81 HMGCR (0.36) GAATSHRKDM4EKMT2AMEN1
SCHEMBL21299 0.79 GAA (0.58) MGAMGAASIMGAM2TSHR
Ammonia Solution, Strong SCHEMBL3909004 0.79 TSHR (0.48) MGAMGAASIMGAM2TSHR
Hydrochloric Acid SCHEMBL27633679 0.79 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL12603663 0.78 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL27976 0.78 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL3084208 0.78 TET2 (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL12988210 0.78 MGAM (0.34) MGAMGAASIMGAM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 US disclosed
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-06-08 US disclosed
EP-1594843-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE Takasago International Corporation (JP) 2005-11-16 EP disclosed
WO-2004074255-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-09-02 WO disclosed
CN-1304399-A Process for preparation of amides IHARA CHEMICAL IND CO (JP) 2001-07-18 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 MGAM 4070/4885GAA 1326/4885SI 1726/4885
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 MGAM 2405/4885GAA 1242/4885SI 1115/4885
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline AADAT, KMO, ALDH7A1 MGAM 2405/4885GAA 1242/4885SI 1115/4885

“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.