SCHEMBL4473338

SCHEMBL4473338

O=C(c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 3/20 0.58
CNR1 P21554 2/20 0.55
NPSR1 Q6W5P4 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
APP P05067 1/20 0.49
HTT P42858 2/20 0.49
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
PARP1 P09874 2/20 0.48
FKBP1A P62942 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
SCHEMBL4475217 0.88 HPGD (0.52) HSD17B10ALDH1A1CNR1NPSR1KMT2A
SCHEMBL4481337 0.84 SMN1; SMN2 (0.58) ALDH1A1NPSR1KMT2AMEN1TSHR
SCHEMBL12792444 0.81 HSD17B10 (0.59) HSD17B10ALDH1A1NPSR1KMT2AMEN1
SCHEMBL11116524 0.81 HSD17B10 (0.89) HSD17B10ALDH1A1NPSR1KMT2AMEN1
SCHEMBL168000 0.81 HTT (0.56) HSD17B10ALDH1A1CNR1NPSR1KMT2A
SCHEMBL12081963 0.79 SMN1; SMN2 (0.58) HSD17B10ALDH1A1CNR1NPSR1KMT2A
SCHEMBL2932586 0.78 HSD17B10 (0.58) HSD17B10ALDH1A1NPSR1KMT2AMEN1
SCHEMBL168475 0.78 HSD17B10 (0.53) HSD17B10ALDH1A1CNR1NPSR1KMT2A
SCHEMBL168737 0.78 HSD17B10 (0.53) HSD17B10ALDH1A1CNR1NPSR1KMT2A
SCHEMBL166546 0.78 HSD17B10 (0.50) HSD17B10ALDH1A1NPSR1KMT2AMEN1

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 HSD17B10 348/4885ALDH1A1 607/4885CNR1 2/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 HSD17B10 307/4885ALDH1A1 299/4885CNR1 1/4885

“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.