SCHEMBL14368980

SCHEMBL14368980

CCOCCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ THRB P10828 5/20 0.43
▸ THRA P10827 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43

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
SCHEMBL14392769 1.00 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL14392525 1.00 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL27757303 1.00 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL14368978 1.00 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL14368970 1.00 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL4429061 1.00 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL14368976 0.99 ALDH1A1 (0.47) ALDH1A1TP53GLAL3MBTL1THRB
SCHEMBL4423115 0.91 KDM4E (0.47) ALDH1A1TP53THRBTHRAHRH3
SCHEMBL4423112 0.91 KDM4E (0.47) ALDH1A1TP53THRBTHRAHRH3
SCHEMBL14392597 0.91 KDM4E (0.47) ALDH1A1TP53THRBTHRAHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 ALDH1A1 1047/4885TP53 3486/4885GLA 2399/4885

“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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