SCHEMBL4769235

SCHEMBL4769235

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.40
HTR7 P34969 1/20 0.39
FFAR1 O14842 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4766583 0.82 HSD17B3 (0.55) HSD17B3HTR7NPC1SMN1; SMN2THRA
SCHEMBL28435445 0.82 KMT2A (0.44) HSD17B3HTR7NPC1KMT2ARAB9A
SCHEMBL6288870 0.80 BDKRB2 (0.44) HSD17B3HTR7RAB9A
SCHEMBL2480571 0.78 RARB (0.50) MEN1KMT2A
SCHEMBL8979697 0.77 MAPK1 (0.46) HSD17B3NPC1MEN1KMT2ARAB9A
SCHEMBL1983658 0.75 TSHR (0.32) MEN1KMT2ATHRB
SCHEMBL5952565 0.74 NPC1 (0.50) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4769427 0.74 PLK1 (0.58) SMN1; SMN2
SCHEMBL9596990 0.74 HPGD (0.44) HSD17B3HTR7SMN1; SMN2
SCHEMBL961840 0.74 MAPT (0.47) MEN1KMT2A

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 3727/4885HTR7 22/4885FFAR1 2494/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HSD17B3 2913/4885HTR7 17/4885FFAR1 1617/4885

“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.