SCHEMBL6505055

SCHEMBL6505055

CCOC(=O)CCC(=O)c1ccc(N)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CREBBP Q92793 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ STING1 Q86WV6 2/20 0.40

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
SCHEMBL8922532 0.87 LMNA (0.41) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL11738582 0.87 STING1 (0.46) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL5376059 0.84 ALDH1A1 (0.47) LMNACYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL6495442 0.82 LMNA (0.54) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6650021 0.82 LMNA (0.61) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL4271044 0.81 ALDH1A1 (0.51) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL9206685 0.80 HSD17B3 (0.55) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL11703646 0.79 CA12 (0.63) MAPTALDH1A1HPGDKMT2ATDP1
SCHEMBL10749473 0.78 KMT2A (0.61) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL940578 0.78 LMNA (0.65) LMNACYP1A2CYP3A4MAOASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 — — 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 (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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 LMNA 2279/4885CYP1A2 913/4885CYP3A4 570/4885

“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.

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