SCHEMBL10068628

SCHEMBL10068628

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.50
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HIF1A Q16665 1/20 0.46
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
EP300 Q09472 1/20 0.43
BACE1 P56817 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
SCHEMBL6742469 0.81 ELANE (0.56) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL14189455 0.81 ELANE (0.56) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL10068631 0.77 SIGMAR1 (0.41) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL10038027 0.76 BRD4 (0.32) ALDH1A1SMN1; SMN2LMNA
SCHEMBL6621178 0.74 KMT2A (0.54) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6623233 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL16775234 0.70 KMT2A (0.70) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL16759895 0.70 KMT2A (0.70) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6747735 0.70 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL7829113 0.70 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2

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 ALDH1A1 1874/4885KMT2A 540/4885MEN1 584/4885

“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.