SCHEMBL4764762

SCHEMBL4764762

Ic1ccc(OCC2OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.44
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL16982221 0.84 TDP1 (0.42) TDP1TP53MAPTHPGDTSHR
SCHEMBL7890171 0.81 TDP1 (0.45) APPTDP1TP53MAPTHPGD
SCHEMBL9840578 0.81 PKM (0.51) TDP1TP53MAPTHPGDTSHR
SCHEMBL11284846 0.80 TDP1 (0.62) TDP1TP53TSHRALDH1A1MEN1
SCHEMBL7965384 0.78 TDP1 (0.66) APPTDP1TP53MAPTHPGD
SCHEMBL7965385 0.78 TDP1 (0.66) APPTDP1TP53MAPTHPGD
SCHEMBL1228641 0.78 TDP1 (0.66) APPTDP1TP53MAPTHPGD
SCHEMBL11942200 0.78 FKBP1A (0.47) TDP1TP53MAPTHPGDTSHR
SCHEMBL9781216 0.78 MAOB (0.43) TDP1
SCHEMBL9778566 0.78 FFAR4 (0.50) TDP1ALDH1A1MEN1KMT2ALMNA

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 APP 4112/4885TDP1 1197/4885TP53 2427/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 APP 4602/4885TDP1 326/4885TP53 3037/4885

“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.