SCHEMBL10068631

SCHEMBL10068631

O=C1[C@H]2OC3(CCCCC3)O[C@H]2[C@H](O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 2/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
EHMT2 Q96KQ7 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL10038028 0.80 POLB (0.32) POLBGAAMAPK1NPSR1
SCHEMBL10068628 0.77 ALDH1A1 (0.54) SIGMAR1TMEM97TSHRKMT2AMEN1
SCHEMBL9767683 0.66 POLB (0.40) SIGMAR1TMEM97CYP2C19POLBGAA
SCHEMBL12221533 0.66 POLB (0.40) SIGMAR1TMEM97CYP2C19POLBGAA
SCHEMBL7922102 0.66 POLB (0.40) SIGMAR1TMEM97CYP2C19POLBGAA
SCHEMBL19387511 0.66 MEN1 (0.58) CYP3A4TSHRCYP2C19KMT2AMEN1
SCHEMBL6373575 0.65 POLB (0.40) SIGMAR1TMEM97CYP2C19POLBGAA
SCHEMBL7911469 0.65 POLB (0.40) SIGMAR1TMEM97CYP2C19POLBGAA
SCHEMBL7921733 0.64 OPRM1 (0.41) SIGMAR1TMEM97POLBGAAMAPK1
SCHEMBL25627219 0.64 OPRM1 (0.41) SIGMAR1TMEM97POLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592497-B2 Process for the asymmetric hydrogenation of imides THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-03-14 US disclosed
US-20120165546-A1 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF IMIDES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-06-28 US disclosed
WO-2010145024-A1 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF IMIDES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-12-23 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-20120165546-A1 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF IMIDES IDH2, HRH4, HPSE SIGMAR1 1425/4885TMEM97 3803/4885CYP3A4 168/4885

“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.