SCHEMBL6545242

SCHEMBL6545242

CCOC(=O)CC1(C=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TRPA1 O75762 1/20 0.36
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL31088807 0.98 GAA (0.40) KDM4EGAAMGAMSIMGAM2
SCHEMBL27300102 0.91 GAA (0.43) KDM4EGAAMGAMSIMGAM2
SCHEMBL9796453 0.84 KDM4E (0.40) KDM4EGAAMGAMSIMGAM2
SCHEMBL31089194 0.83 TSHR (0.41) KDM4EGAAMGAMSIMGAM2
SCHEMBL28567972 0.81 CYP3A4 (0.35) GAAMGAMSIMGAM2KMT2A
SCHEMBL6545234 0.81 CYP3A4 (0.35) GAAMGAMSIMGAM2KMT2A
SCHEMBL6544313 0.81 KDM4E (0.39) KDM4EGAAMGAMSIMGAM2
SCHEMBL27497690 0.81 KDM4E (0.45) KDM4EGAAMGAMSIMGAM2
SCHEMBL6545165 0.79 ALDH1A1 (0.38) GAAALDH1A1MAPTTSHR
SCHEMBL14085473 0.77 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063994-A1 Process for the preparation of cyclic amino acids SOLCHEM ITALIANA S.P.A. (IT) 2004-04-01 US claimed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP claimed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 WO claimed
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
US-20200400696-A1 Compounds and Methods for Use in Detecting Gabapentin ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2020-12-24 US disclosed
WO-2019152688-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
WO-2019152688-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
US-20090062392-A1 DEUTERIUM-ENRICHED GABAPENTIN PROTIA, LLC (US) 2009-03-05 US disclosed
US-20090062392-A1 DEUTERIUM-ENRICHED GABAPENTIN PROTIA, LLC (US) 2009-03-05 US disclosed
US-20040063994-A1 Process for the preparation of cyclic amino acids SOLCHEM ITALIANA S.P.A. (IT) 2004-04-01 US disclosed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP disclosed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 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 (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-20090062392-A1 DEUTERIUM-ENRICHED GABAPENTIN GABRD, SLC6A13, SLC6A1 KDM4E 1905/4885GAA 2649/4885MGAM 2801/4885
US-20040063994-A1 Process for the preparation of cyclic amino acids SLC7A1, MRPL21, BCAT1 KDM4E 3993/4885GAA 2650/4885MGAM 782/4885
US-20200400696-A1 Compounds and Methods for Use in Detecting Gabapentin GABRE, GABRG3, GABRB2 KDM4E 4009/4885GAA 856/4885MGAM 2515/4885

“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.