SCHEMBL4460146

SCHEMBL4460146

O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.79
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55
PKM P14618 4/20 0.53
PKLR P30613 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4460822 0.90 CNR1 (0.97) CNR1KMT2AMEN1GAAPKM
SCHEMBL4459981 0.88 CNR1 (1.00) CNR1KMT2AMEN1GAAPKM
SCHEMBL4461762 0.88 CNR1 (0.76) CNR1KMT2AMEN1POLBGAA
SCHEMBL4468884 0.86 CNR1 (0.77) CNR1POLBPKMPKLRTSHR
SCHEMBL4467923 0.83 CNR1 (0.68) CNR1KMT2AMEN1POLBGAA
SCHEMBL4463323 0.83 CNR1 (0.68) CNR1KMT2AMEN1POLBGAA
SCHEMBL4466755 0.82 CNR1 (0.86) CNR1PKMPKLRTSHRLMNA
SCHEMBL4462997 0.82 CNR1 (0.78) CNR1KMT2APOLBPKMPKLR
SCHEMBL4460888 0.82 CNR1 (0.71) CNR1KMT2AMEN1PKMPKLR
SCHEMBL4466220 0.81 CNR1 (0.69) CNR1KMT2AMEN1POLBGAA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534371-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2009-05-19 US claimed
US-20080169448-A1 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-07-17 US claimed
US-7364670-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-04-29 US claimed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP claimed
US-20050056811-A1 Liquid crystalline compound, liquid crystalline composition and retardation film FUJI PHOTO FILM CO., LTD. (JP) 2005-03-17 US claimed
EP-1506991-A2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJI PHOTO FILM CO., LTD. (JP) 2005-02-16 EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7534371-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2009-05-19 US disclosed
US-20080169448-A1 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-07-17 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20050056811-A1 Liquid crystalline compound, liquid crystalline composition and retardation film FUJI PHOTO FILM CO., LTD. (JP) 2005-03-17 US disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (2 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-20080169448-A1 Liquid crystalline compound, liquid crystalline composition and retardation film NCAPD2, RCC1, CCND2 CNR1 2992/4885KMT2A 4169/4885MEN1 1851/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885KMT2A 3559/4885MEN1 2979/4885

“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.