Sugi Predict

Sugi Predict / Compounds / SCHEMBL3984100

SCHEMBL3984100

SCHEMBL3984100

O=C(O)C1[C@@H]2[C@@H]3C[C@@H]([C@@H]4CCC[C@@H]43)[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ TFPI2 P48307 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ GRM2 Q14416 3/20 0.32

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
SCHEMBL3981109 1.00 POLB (0.43) POLBTDP1KDM4EL3MBTL1LMNA
SCHEMBL7518390 0.85 POLB (0.46) POLBTDP1KDM4EL3MBTL1LMNA
SCHEMBL3025350 0.85 POLB (0.46) POLBTDP1KDM4EL3MBTL1LMNA
SCHEMBL13216611 0.85 POLB (0.46) POLBTDP1KDM4EL3MBTL1LMNA
SCHEMBL14357835 0.80 GRM2 (0.45) POLBTDP1KDM4EL3MBTL1LMNA
SCHEMBL3987558 0.79 EPHX1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL3987562 0.79 EPHX1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL3985858 0.79 EPHX1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL3983189 0.76 — —
SCHEMBL30978583 0.76 — —

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-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 — — EP claimed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 — — US claimed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 — — US claimed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 — — EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 — — US disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 — — US 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-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B POLB 2882/4885TDP1 1863/4885KDM4E 3569/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B POLB 2882/4885TDP1 1863/4885KDM4E 3569/4885

“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.