SCHEMBL4770317

SCHEMBL4770317

C#Cc1ccc(OCC2OCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HAO1 Q9UJM8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PDK1 Q15118 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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 0.81 TDP1 (0.42) TDP1ALDH1A1TP53TSHRHPGD
SCHEMBL19072572 0.80 TDP1 (0.61) TDP1ALDH1A1TP53TSHRHPGD
SCHEMBL9840578 0.78 PKM (0.51) TDP1ALDH1A1TP53TSHRHPGD
SCHEMBL4764762 0.78 APP (0.44) TDP1ALDH1A1TP53TSHRHPGD
SCHEMBL7890171 0.78 TDP1 (0.45) TDP1ALDH1A1TP53TSHRHPGD
SCHEMBL11284846 0.77 TDP1 (0.62) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL1391269 0.76 SIGMAR1 (0.53) TDP1PARP15PARP10PARP2SIGMAR1
SCHEMBL11942200 0.75 FKBP1A (0.47) TDP1ALDH1A1TP53TSHRHPGD
SCHEMBL9781216 0.75 MAOB (0.43) TDP1
SCHEMBL9778566 0.75 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 TDP1 1197/4885ALDH1A1 2989/4885TP53 2427/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TDP1 326/4885ALDH1A1 1071/4885TP53 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.