SCHEMBL5026822

SCHEMBL5026822

NC[C@H]1COC(=O)N1c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
AKR1C3 P42330 5/20 0.41
HPGD P15428 6/20 0.40
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39
F10 P00742 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17054995 0.82 F10 (0.59) F10
Hydrochloric Acid SCHEMBL28633096 0.81 F10 (0.58) F10
SCHEMBL29950062 0.77 NOTUM (0.41)
SCHEMBL77421 0.73 F10 (0.68) ALDH1A1F10
SCHEMBL79947 0.73 F10 (0.68) ALDH1A1F10
SCHEMBL11142367 0.72 ALDH1A1 (0.74) ALDH1A1AKR1C3HPGDTSHRNPC1
SCHEMBL2152758 0.70 ALDH1A1 (0.57) ALDH1A1AKR1C3HPGDTSHRSMN1; SMN2
SCHEMBL17287889 0.70 HSP90AA1 (0.42) ALDH1A1HPGDTSHRNPC1SMN1; SMN2
SCHEMBL5477315 0.70 BPTF (0.58) ALDH1A1AKR1C3HPGDTSHRNPC1
SCHEMBL78465 0.69 ALDH1A1 (0.65) ALDH1A1AKR1C3HPGDTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-04-17 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-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885AKR1C3 887/4885HPGD 241/4885

“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.