SCHEMBL4768252

SCHEMBL4768252

Brc1ccc(COCCOCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
IDO1 P14902 3/20 0.52
NAAA Q02083 1/20 0.50
CHRM3 P20309 2/20 0.49
LTA4H P09960 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 1/20 0.43
AGXT P21549 1/20 0.43
APP P05067 1/20 0.42

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
SCHEMBL2658064 0.94 TSHR (0.54) TSHRIDO1NAAACHRM3LTA4H
SCHEMBL2657770 0.93 TSHR (0.71) TSHRIDO1NAAACHRM3TDP1
SCHEMBL3686733 0.92 TSHR (0.52) TSHRIDO1NAAACHRM3LTA4H
SCHEMBL134086 0.91 IDO1 (0.61) TSHRIDO1CHRM3MAOBAPP
SCHEMBL4004770 0.89 L3MBTL1 (0.58) TSHRIDO1NAAACHRM3LTA4H
SCHEMBL9342149 0.88 IDO1 (0.58) TSHRIDO1NAAACHRM3MAOB
SCHEMBL21578433 0.88 IDO1 (0.58) TSHRIDO1NAAACHRM3MAOB
SCHEMBL9342899 0.88 IDO1 (0.58) TSHRIDO1NAAACHRM3MAOB
SCHEMBL1991359 0.88 TSHR (0.78) TSHRIDO1NAAALTA4HTDP1
SCHEMBL13643219 0.87 L3MBTL1 (0.65) TSHRIDO1LTA4HTDP1L3MBTL1

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 6 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
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 TSHR 1481/4885IDO1 1075/4885NAAA 1262/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TSHR 962/4885IDO1 216/4885NAAA 2379/4885

“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.