SCHEMBL6890696

SCHEMBL6890696

NC(C1CCCCC1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 4/20 0.41
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
METAP2 P50579 3/20 0.38
METAP1 P53582 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 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
SCHEMBL6890690 1.00 EPHX1 (0.41) EPHX1HPGDEPHX2NPC1TP53
SCHEMBL6898069 1.00 EPHX1 (0.41) EPHX1HPGDEPHX2NPC1TP53
SCHEMBL27766100 0.92 CYP1A2 (0.41) EPHX1SMN1; SMN2IDO1CYP1A2CYP2C9
SCHEMBL6891284 0.83 EPHX1 (0.52) EPHX1METAP2METAP1
SCHEMBL6891293 0.83 EPHX1 (0.52) EPHX1METAP2METAP1
SCHEMBL6897414 0.77 METAP2 (0.49) EPHX1TSHRMETAP2METAP1
SCHEMBL6897426 0.77 METAP2 (0.49) EPHX1TSHRMETAP2METAP1
SCHEMBL6898544 0.75 IDO1 (0.42) TSHRIDO1MEN1KMT2AMETAP2
SCHEMBL6899688 0.75 IDO1 (0.42) TSHRIDO1MEN1KMT2AMETAP2
SCHEMBL6898546 0.75 IDO1 (0.42) TSHRIDO1MEN1KMT2AMETAP2

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 EPHX1 1010/4885HPGD 1779/4885EPHX2 597/4885

“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.