SCHEMBL6897408

SCHEMBL6897408

NC(=O)c1cc([C@@H](O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
PARP1 P09874 2/20 0.48
ADRA1D P25100 4/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1B P35368 4/20 0.47
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
CYP2D6 P10635 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL6897412 1.00 FOLH1 (0.49) FOLH1PARP1ADRA1DADRA1AADRA1B
SCHEMBL4428242 0.91 FOLH1 (0.59) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3978402 0.86 ADRA1D (0.45) FOLH1PARP1ADRA1DADRA1AADRA1B
SCHEMBL965193 0.85 F2 (0.49) FOLH1ADRA1DADRA1AADRA1BADRB2
SCHEMBL965192 0.85 F2 (0.49) FOLH1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11596670 0.82 ADRB2 (0.55) PARP1ADRA1DADRA1AADRA1BADRB2
SCHEMBL5707160 0.82 PRMT5 (0.42) FOLH1
SCHEMBL1311951 0.82 PRMT5 (0.42) FOLH1
SCHEMBL30286115 0.82 PRMT5 (0.42) FOLH1
SCHEMBL2671449 0.82 PRMT5 (0.42) FOLH1

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 FOLH1 936/4885PARP1 623/4885ADRA1D 108/4885

“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.