SCHEMBL4463802

SCHEMBL4463802

O=C(OCCCC1CCCCC1)OCCCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
NAAA Q02083 8/20 0.51
FKBP1A P62942 6/20 0.49
ASAH1 Q13510 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4476050 0.98 EPHX1 (0.54) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL2906497 0.89 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL2906499 0.89 EPHX1 (0.55) EPHX1SMN1; SMN2NAAAFKBP1A
SCHEMBL8395994 0.86 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8394197 0.86 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8944571 0.86 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL4463801 0.86 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8392621 0.84 EPHX1 (0.54) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8392656 0.84 EPHX1 (0.54) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL19842292 0.84 SMN1; SMN2 (0.56) EPHX1SMN1; SMN2NAAAFKBP1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625943-B2 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J 2009-12-01 US claimed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 US claimed
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J (US) 2005-03-24 US claimed
US-6818668-B2 ADMINISTERING PRODRUGS OF METABOLITES SUCH AS 5-METHYL-7-ETHYL CARBONATE-ISOFLAVONE, TO INCREASING CONCENTRATION OF FLAVONOIDS BIOTEST LABORATORIES, LLC 2004-11-16 US claimed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 US claimed
WO-2003087083-A1 5-ALKYL-7-ALKYLCARBONATE-ISOFLAVONE ESTER AS ISOFLAVONE PRODRUG BIOTEST LABORATORIES, LLC (US) 2003-10-23 WO claimed
US-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method BIOTEST LABORATORIES, LLC 2003-10-16 US claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US claimed
US-7625943-B2 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J 2009-12-01 US disclosed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 US disclosed
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J (US) 2005-03-24 US disclosed
US-6818668-B2 ADMINISTERING PRODRUGS OF METABOLITES SUCH AS 5-METHYL-7-ETHYL CARBONATE-ISOFLAVONE, TO INCREASING CONCENTRATION OF FLAVONOIDS BIOTEST LABORATORIES, LLC 2004-11-16 US disclosed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 US disclosed
WO-2003087083-A1 5-ALKYL-7-ALKYLCARBONATE-ISOFLAVONE ESTER AS ISOFLAVONE PRODRUG BIOTEST LABORATORIES, LLC (US) 2003-10-23 WO disclosed
US-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method BIOTEST LABORATORIES, LLC 2003-10-16 US disclosed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US disclosed
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 US disclosed
US-20030134831-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 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 (3 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-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 EPHX1 1230/4885SMN1; SMN2 2349/4885NAAA 517/4885
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 EPHX1 1245/4885SMN1; SMN2 2299/4885NAAA 519/4885
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 EPHX1 1639/4885SMN1; SMN2 2745/4885NAAA 2583/4885

“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.