SCHEMBL18540944

SCHEMBL18540944

CCOC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
AR P10275 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
PGR P06401 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 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
SCHEMBL18528076 0.90 SIRT6 (0.43) SIRT6MAPTALDH1A1LMNAHTT
SCHEMBL31092319 0.90 SIRT6 (0.43) SIRT6MAPTALDH1A1LMNAHTT
SCHEMBL18540940 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL18540945 0.86 SIRT6 (0.49) SIRT6MAPTALDH1A1LMNAHTT
SCHEMBL18540942 0.85 ALDH1A1 (0.44) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL18540933 0.82 SIRT6 (0.52) SIRT6MAPTALDH1A1LMNAHTT
SCHEMBL18540958 0.82 SIRT6 (0.52) SIRT6MAPTALDH1A1LMNAHTT
SCHEMBL18540937 0.82 AR (0.47) AR
SCHEMBL18540962 0.82 AR (0.47) AR
SCHEMBL18540932 0.81 SIRT6 (0.50) SIRT6MAPTALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809583-B2 Oxazolidine-based compound and selective androgen receptor agonist comprising same DONG-A ST CO., LTD. (KR) 2017-11-07 US disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 US 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-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME AR, SHBG, MUSK SIRT6 2769/4885MAPT 3721/4885ALDH1A1 1632/4885

“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.