SCHEMBL4934487

SCHEMBL4934487

O=c1nc(C2CC[C@@H](CO)O2)cc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.43
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
MAPK1 P28482 1/20 0.36
HRH4 Q9H3N8 11/20 0.35
HRH3 Q9Y5N1 11/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
CYP3A4 P08684 1/20 0.31
PIM1 P11309 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL9027476 0.75 ABL1 (0.35) CYP2A6ALDH1A1LMNAALBMAPK1
SCHEMBL8406829 0.75 ALB (0.41) LMNAALB
SCHEMBL9751247 0.75 ADRB1 (0.38) LMNA
SCHEMBL8663124 0.75 ADRB1 (0.38) LMNA
SCHEMBL18190781 0.72 HRH4 (0.39) CYP2A6ALDH1A1LMNAALBMAPK1
SCHEMBL2352863 0.69 SYK (0.33) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL1444855 0.69 SLC5A2 (0.47) ALDH1A1LMNACYP3A4
SCHEMBL2563761 0.69 SLC5A2 (0.47) ALDH1A1LMNACYP3A4
SCHEMBL3786766 0.69 SLC5A2 (0.47) ALDH1A1LMNACYP3A4
SCHEMBL7024599 0.69 SLC5A2 (0.47) ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139545-A1 FORMULATION TO TREAT EAR INFECTION CHOE WON-TAEK 2008-06-12 US disclosed
US-20060134226-A1 Compositions useful to treat ocular neovascular diseases and macular degeneration NU-TEIN CO., LTD. 2006-06-22 US disclosed
US-20060122282-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS NU-TEIN CO., INC. 2006-06-08 US disclosed
EP-1478738-A4 ANTI-CCR5 ANTIBODY PROGENICS PHARM INC (US) 2006-05-31 EP disclosed
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier CEDARS-SINAI MEDICAL CENTER 2005-04-28 US disclosed
EP-1478738-A1 ANTI-CCR5 ANTIBODY PROGENICS PHARMACEUTICALS, INC. (US) 2004-11-24 EP disclosed
WO-2003072766-A1 ANTI-CCR5 ANTIBODY PROGENICS PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
US-20020042394-A1 Cobalamin compounds useful as antibiotic agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-11 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 (4 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-20060134226-A1 Compositions useful to treat ocular neovascular diseases and macular degeneration CFD, VEGFA, CFH CYP2A6 3700/4885ALDH1A1 1039/4885LMNA 1871/4885
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier KCNN2, KCNN1, KCNN3 CYP2A6 4486/4885ALDH1A1 3047/4885LMNA 541/4885
US-20020042394-A1 Cobalamin compounds useful as antibiotic agents and as imaging agents MMAB, BLVRB, AHCY CYP2A6 1273/4885ALDH1A1 3866/4885LMNA 1509/4885
US-20060122282-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS COL1A1, COL2A1, KRT18 CYP2A6 2103/4885ALDH1A1 2112/4885LMNA 9/4885

“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.