SCHEMBL6897515

SCHEMBL6897515

COc1ccc(C(O)(c2ccc(OC)cc2)C(N)C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP19A1 P11511 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.41
EPHX2 P34913 2/20 0.40
EPHX1 P07099 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL6896284 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP19A1MEN1
SCHEMBL6899688 0.79 IDO1 (0.42) MEN1KMT2ALMNA
SCHEMBL6898544 0.79 IDO1 (0.42) MEN1KMT2ALMNA
SCHEMBL6898546 0.79 IDO1 (0.42) MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6898731 0.78 IDO1 (0.44) MEN1KMT2ARAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL6898738 0.78 IDO1 (0.44) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL6896230 0.75 GABBR2 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6896239 0.75 GABBR2 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10916810 0.73 MEN1 (0.45) SLC6A2SLC6A4SLC6A3CYP19A1MEN1
SCHEMBL1152745 0.73 CYP3A4 (0.48) SLC6A4ALDH1A1MAPT

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 SLC6A2 3654/4885SLC6A4 3392/4885SLC6A3 3103/4885

“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.