SCHEMBL3454385

SCHEMBL3454385

OCC[C@]1(c2cc(F)ccc2F)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.36
CYP2C9 P11712 3/20 0.36
PSEN1 P49768 8/20 0.35
PSEN2 P49810 8/20 0.35
APH1B Q8WW43 8/20 0.35
NCSTN Q92542 8/20 0.35
APH1A Q96BI3 8/20 0.35
PSENEN Q9NZ42 8/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CYP3A4 P08684 1/20 0.33
HSD3B2 P26439 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.32
CES2 O00748 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
SCHEMBL4771886 1.00 HSD11B1 (0.36) HSD11B1CYP2C9PSEN1PSEN2APH1B
SCHEMBL8723263 0.87 HSD11B1 (0.38) HSD11B1CYP2C9CYP3A4HSD3B2CYP2C19
SCHEMBL9005074 0.87 HSD11B1 (0.38) HSD11B1CYP2C9CYP3A4HSD3B2CYP2C19
SCHEMBL8780969 0.79 HSD11B1 (0.39) HSD11B1CYP2C9CYP3A4
SCHEMBL8106827 0.72 BACE1 (0.39) CES2CES1
SCHEMBL7862053 0.72 BACE1 (0.39) CES2CES1
SCHEMBL6942603 0.72 BACE1 (0.39) CES2CES1
SCHEMBL18754946 0.72 PDE2A (0.37) KMT2A
SCHEMBL2874273 0.72 CHRNA1 (0.37) HSD11B1CYP2C9CA9CYP3A4CYP2C19
SCHEMBL495995 0.72 MMP13 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816537-B2 Process for the manufacture of epoxybutanol intermediates BASILEA PHARMACEUTICA AG (CH) 2010-10-19 US disclosed
US-20090299073-A1 Process for the Manufacture of Epoxybutanol Intermediates MULLER MARC 2009-12-03 US disclosed
EP-1954264-A2 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES Basilea Pharmaceutica AG (CH) 2008-08-13 EP disclosed
WO-2007062542-A2 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2007-06-07 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-20090299073-A1 Process for the Manufacture of Epoxybutanol Intermediates POR, CYP4A11, CYP1A1 HSD11B1 20/4885CYP2C9 38/4885PSEN1 4295/4885

“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.