SCHEMBL3933769

SCHEMBL3933769

NCc1c(OCCO)cccc1OCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.59
AOC3 Q16853 2/20 0.59
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.43
HTR1B P28222 3/20 0.40
DPP4 P27487 1/20 0.38
LMNA P02545 3/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTR1D P28221 1/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
Hydrochloric Acid SCHEMBL10351314 0.98 AOC3 (0.62) LOXAOC3ALDH1A1KDM4ERECQL
SCHEMBL10629740 0.80 ALDH1A1 (0.48) LOXAOC3ALDH1A1KDM4ERECQL
SCHEMBL3941335 0.79 MCHR1 (0.49) AOC3ALDH1A1KDM4ETP53HTR1B
Hydrochloric Acid SCHEMBL10351928 0.78 CSNK2A1 (0.49) LOXAOC3ALDH1A1KDM4ETP53
SCHEMBL8795460 0.78 HPGD (0.47) LOXAOC3ALDH1A1KDM4ERECQL
SCHEMBL3933607 0.78 CYP1A2 (0.58) AOC3KDM4EHTR1BLMNAMAPT
SCHEMBL30818144 0.77 LOX (0.41) LOXAOC3ALDH1A1KDM4ERECQL
SCHEMBL238824 0.77 ALDH1A1 (0.61) ALDH1A1KDM4ERECQLTP53MAPK1
SCHEMBL29510942 0.77 ALDH1A1 (0.61) ALDH1A1KDM4ERECQLTP53MAPK1
Hydrochloric Acid SCHEMBL10351357 0.76 CYP1A2 (0.56) LOXAOC3KDM4EHTR1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4888283-A Selective inhibitors of benzylaminoxidases with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1989-12-19 US claimed
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (7 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB LOX 81/4885AOC3 202/4885ALDH1A1 927/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LOX 1085/4885AOC3 782/4885ALDH1A1 930/4885
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA LOX 1663/4885AOC3 163/4885ALDH1A1 1877/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 LOX 70/4885AOC3 85/4885ALDH1A1 260/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA LOX 1133/4885AOC3 386/4885ALDH1A1 531/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LOX 1085/4885AOC3 782/4885ALDH1A1 930/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB LOX 385/4885AOC3 590/4885ALDH1A1 1690/4885

“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.