SCHEMBL4463804

SCHEMBL4463804

CCC(OC(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP1 Q9C000 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL4476053 0.98 SHBG (0.40) SHBGEPHX1ALDH1A1CYP2C9CYP2C19
SCHEMBL4463799 0.86 SHBG (0.45) SHBGEPHX1ALDH1A1CYP2C9CYP2C19
SCHEMBL14088062 0.85 SHBG (0.43) SHBGEPHX1ALDH1A1TSHRLMNA
SCHEMBL2380868 0.85 SHBG (0.43) SHBGEPHX1ALDH1A1TSHRLMNA
SCHEMBL4476043 0.84 SHBG (0.41) SHBGEPHX1ALDH1A1TSHRNPSR1
SCHEMBL29094051 0.83 SHBG (0.42) SHBGEPHX1ALDH1A1TSHRNPSR1
SCHEMBL10657782 0.83 SHBG (0.42) SHBGEPHX1ALDH1A1CYP2C9CYP2C19
Procymate SCHEMBL1651001 0.83 EPHX1 (0.44) SHBGEPHX1ALDH1A1TP53
SCHEMBL28943266 0.81 ALDH1A1 (0.40) SHBGEPHX1ALDH1A1CYP2C9CYP2C19
SCHEMBL3469911 0.81 ALDH1A1 (0.38) EPHX1ALDH1A1CYP2C9CYP2C19HIF1A

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 SHBG 41/4885EPHX1 1230/4885ALDH1A1 708/4885
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 SHBG 42/4885EPHX1 1245/4885ALDH1A1 696/4885
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 SHBG 1/4885EPHX1 1639/4885ALDH1A1 192/4885

“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.