SCHEMBL4475828

SCHEMBL4475828

Cc1cc(OCCO)cc2occ(-c3ccccc3)c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ TP53 P04637 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ BRCA1 P38398 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ ALDH2 P05091 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ACHE P22303 4/20 0.51

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
SCHEMBL4465072 0.89 MAPT (0.57) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL8983993 0.85 MAPT (0.48) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL1227819 0.85 SMN1; SMN2 (0.76) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL31186354 0.85 SMN1; SMN2 (0.76) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL4482108 0.81 SMN1; SMN2 (0.66) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL4464671 0.79 SMN1; SMN2 (0.74) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL6266319 0.79 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL10620423 0.79 ALDH2 (0.79) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL9755698 0.78 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL16458925 0.78 ALDH2 (0.73) MAPTALDH1A1SMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163746-A ANABOLIC, 5-METHYL-7-ALKOXYISOFLAVONES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-08-07 — — US claimed
US-7625943-B2 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J 2009-12-01 — — 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
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-20020187179-A1 Non-steroidal anabolic compositions and associated methods LIFESMART NUTRITION, INC. 2002-12-12 — — US disclosed
US-4163746-A ANABOLIC, 5-METHYL-7-ALKOXYISOFLAVONES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-08-07 — — US disclosed
US-4163746-A ANABOLIC, 5-METHYL-7-ALKOXYISOFLAVONES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-08-07 — — 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-20020187179-A1 Non-steroidal anabolic compositions and associated methods GPR119, IGFBP1, IGFBP5 MAPT 3541/4885ALDH1A1 4426/4885SMN1; SMN2 1132/4885
US-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 MAPT 4874/4885ALDH1A1 708/4885SMN1; SMN2 2349/4885
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 MAPT 4874/4885ALDH1A1 696/4885SMN1; SMN2 2299/4885

“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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