SCHEMBL4766583

SCHEMBL4766583

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)CCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 2/20 0.50
HTR7 P34969 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
STS P08842 2/20 0.44
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
NPC1 O15118 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL6288870 0.84 BDKRB2 (0.44) HSD17B3HPGDHTR7
SCHEMBL28435445 0.82 KMT2A (0.44) HSD17B3L3MBTL1HPGDHTR7SMN1; SMN2
SCHEMBL2480571 0.82 RARB (0.50)
SCHEMBL4769235 0.82 HSD17B3 (0.40) HSD17B3HTR7SMN1; SMN2THRATHRB
SCHEMBL8979697 0.81 MAPK1 (0.46) HSD17B3L3MBTL1SMN1; SMN2NPC1
SCHEMBL26254861 0.79 HSD17B3 (0.82) HSD17B3L3MBTL1HPGDHTR7SMN1; SMN2
SCHEMBL1983658 0.79 TSHR (0.32) THRB
SCHEMBL961840 0.78 MAPT (0.47) L3MBTL1
SCHEMBL4769427 0.78 PLK1 (0.58) L3MBTL1HPGDSMN1; SMN2
SCHEMBL5952565 0.78 NPC1 (0.50) L3MBTL1HPGDSMN1; SMN2NPC1

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 HSD17B3 3727/4885L3MBTL1 4124/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HSD17B3 2913/4885L3MBTL1 2776/4885HPGD 1548/4885

“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.