SCHEMBL4766593

SCHEMBL4766593

CCCC[Sn](CCCC)(CCCC)c1ccccc1C(=O)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TSHR P16473 6/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL1839511 0.83 TSHR (0.47) TSHRHPGDL3MBTL1TDP1HTT
SCHEMBL964161 0.79 TSHR (0.46) TSHRHPGDL3MBTL1TDP1HTT
SCHEMBL960266 0.74 NAAA (0.44) TSHRHPGDHTTLMNATP53
SCHEMBL83892 0.73 GABRA1 (0.54) GABRA1GABRB2TSHRL3MBTL1TDP1
SCHEMBL30125359 0.73 GABRA1 (0.54) GABRA1GABRB2TSHRL3MBTL1TDP1
SCHEMBL11202895 0.72 TSHR (0.39) TSHRHPGDL3MBTL1TDP1HTT
SCHEMBL4772254 0.71 L3MBTL1 (0.40) TSHRL3MBTL1TDP1HTTSMN1; SMN2
SCHEMBL4766583 0.70 HSD17B3 (0.55) HPGDL3MBTL1SMN1; SMN2HSD17B3THRA
SCHEMBL289555 0.70 CYP19A1 (0.58) TSHRHPGDL3MBTL1TDP1HTT
SCHEMBL3346960 0.70 CTNNB1 (0.58) TSHRHPGDL3MBTL1TDP1SMN1; SMN2

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 3 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
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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GABRA1 239/4885GABRB2 258/4885TSHR 962/4885

“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.