SCHEMBL6896239

SCHEMBL6896239

NC(C1CCCCC1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
EPHX1 P07099 3/20 0.43
METAP2 P50579 5/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HTR1E P28566 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR3 Q99500 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ICMT O60725 1/20 0.40
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6896230 1.00 GABBR2 (0.45) GABBR2GABBR1EPHX1METAP2LMNA
SCHEMBL6898546 0.81 IDO1 (0.42) METAP2LMNAMEN1KMT2AKDM4E
SCHEMBL6899688 0.81 IDO1 (0.42) METAP2LMNAMEN1KMT2AKDM4E
SCHEMBL6898544 0.81 IDO1 (0.42) METAP2LMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6898738 0.80 IDO1 (0.44) METAP2LMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6898731 0.80 IDO1 (0.44) METAP2LMNAMEN1KMT2AKDM4E
SCHEMBL6891284 0.76 EPHX1 (0.52) GABBR2GABBR1EPHX1METAP2SLC6A2
SCHEMBL6891293 0.76 EPHX1 (0.52) GABBR2GABBR1EPHX1METAP2SLC6A2
SCHEMBL6896284 0.75 SLC6A2 (0.47) EPHX1LMNAMEN1HTTKMT2A
SCHEMBL6897515 0.75 SLC6A2 (0.47) EPHX1LMNAMEN1HTTKMT2A

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
EP-1317461-B1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORP (US) 2004-11-03 EP disclosed
EP-1317461-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2003-06-11 EP disclosed
US-6509472-B2 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2003-01-21 US disclosed
US-20020038053-A1 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2002-03-28 US disclosed
WO-2002022623-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2002-03-21 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 (1 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-20020038053-A1 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols ADH5, ADH1A, ADH1C GABBR2 978/4885GABBR1 786/4885EPHX1 1010/4885

“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.