SCHEMBL4475217

SCHEMBL4475217

O=C(c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CNR1 P21554 1/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PARP1 P09874 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
SCN9A Q15858 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL4473338 0.88 HSD17B10 (0.61) HPGDMAPTALDH1A1CNR1MEN1
SCHEMBL4481337 0.84 SMN1; SMN2 (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1578425 0.81 KMT2A (0.68) HPGDMAPTALDH1A1ATMMEN1
SCHEMBL12791593 0.80 APP (0.56) HPGDMAPTALDH1A1ATMMEN1
SCHEMBL1655700 0.80 NPC1 (0.58) HPGDMAPTALDH1A1ATMMEN1
SCHEMBL4464916 0.80 FOLH1 (0.56) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL168500 0.79 HPGD (0.49) HPGDMAPTALDH1A1ATMMEN1
SCHEMBL12792438 0.79 NPC1 (0.57) MEN1KMT2ASMN1; SMN2NPSR1LMNA
SCHEMBL12082137 0.78 SCN9A (0.56) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL12082050 0.78 SCN9A (0.56) HPGDMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 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-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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 HPGD 259/4885MAPT 4230/4885ALDH1A1 607/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 HPGD 351/4885MAPT 4527/4885ALDH1A1 299/4885

“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.