SCHEMBL4768663

SCHEMBL4768663

OB(O)Oc1ccc(CCOCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LTA4H P09960 2/20 0.44
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ENPP2 Q13822 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL6660289 1.00 TDP1 (0.50) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL6662818 0.88 TSHR (0.58) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL16320997 0.84 LMNA (0.47) L3MBTL1LTA4HTSHRNPC1RAB9A
SCHEMBL5377342 0.84 BCHE (0.45) TDP1L3MBTL1LTA4HEPHX2FFAR1
SCHEMBL15899173 0.81 FFAR1 (0.50) TDP1L3MBTL1LTA4HEPHX2TSHR
SCHEMBL1066576 0.80 TSHR (0.67) TDP1L3MBTL1LTA4HTSHRNPC1
SCHEMBL8124493 0.80 TRPV1 (0.48) TDP1L3MBTL1TSHRENPP2CA1
SCHEMBL29958276 0.80 TRPV1 (0.48) TDP1L3MBTL1TSHRENPP2CA1
SCHEMBL1837574 0.79 ESR1 (0.54) TDP1L3MBTL1TSHRLMNACYP1A2
SCHEMBL6744772 0.79 ESR1 (0.54) TDP1L3MBTL1TSHRLMNACYP1A2

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
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 1197/4885L3MBTL1 4124/4885LTA4H 2925/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TDP1 326/4885L3MBTL1 2776/4885LTA4H 3393/4885

“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.