SCHEMBL16352046

SCHEMBL16352046

COc1c2ccoc2c(CC=C(C)C)c2oc(=O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 5/20 0.69
▸ ABCB1 P08183 4/20 0.69
▸ CYP1A1 P04798 4/20 0.69
▸ CYP1A2 P05177 3/20 0.69
▸ MAPT P10636 1/20 0.69
▸ KDM4E B2RXH2 5/20 0.61
▸ CYP3A4 P08684 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ PDE4D Q08499 2/20 0.61
▸ BACE1 P56817 4/20 0.61
▸ ALDH1A1 P00352 6/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ XPO1 O14980 1/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ GABRA1 P14867 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ GABRB2 P47870 1/20 0.54
▸ KCNA2 P16389 2/20 0.48
▸ MAOA P21397 2/20 0.48

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
SCHEMBL29740208 1.00 CYP1B1 (0.69) CYP1B1ABCB1CYP1A1CYP1A2MAPT
SCHEMBL30945593 0.86 PDE4D (0.55) CYP1B1ABCB1CYP1A1CYP1A2MAPT
Phellopterin SCHEMBL2468854 0.82 CYP1B1 (1.00) CYP1B1ABCB1CYP1A1CYP1A2MAPT
SCHEMBL6997006 0.81 CYP3A4 (0.69) CYP1B1ABCB1CYP1A1CYP1A2MAPT
Kinidilin SCHEMBL28952586 0.80 CYP1B1 (0.91) CYP1B1ABCB1CYP1A1CYP1A2MAPT
SCHEMBL6272567 0.79 MAOA (0.54) CYP1B1ABCB1CYP1A1CYP1A2MAPT
SCHEMBL30985284 0.78 KDM4E (0.71) CYP1B1ABCB1CYP1A1CYP1A2MAPT
Isopimpinellin SCHEMBL498907 0.77 CYP3A4 (1.00) CYP1B1ABCB1CYP1A1CYP1A2MAPT
Isopimpinellin SCHEMBL29568822 0.77 CYP3A4 (1.00) CYP1B1ABCB1CYP1A1CYP1A2MAPT
SCHEMBL13532215 0.77 BACE1 (0.57) CYP1B1ABCB1CYP1A1CYP1A2MAPT

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-20140377386-A1 PLANT-BASED INHIBITORS OF KETOHEXOKINASE FOR THE SUPPORT OF WEIGHT MANAGEMENT ACCESS BUSINESS GROUP INTERNATIONAL LLC (US) 2014-12-25 — — US disclosed
US-20140377386-A1 PLANT-BASED INHIBITORS OF KETOHEXOKINASE FOR THE SUPPORT OF WEIGHT MANAGEMENT ACCESS BUSINESS GROUP INTERNATIONAL LLC (US) 2014-12-25 — — 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-20140377386-A1 PLANT-BASED INHIBITORS OF KETOHEXOKINASE FOR THE SUPPORT OF WEIGHT MANAGEMENT KHK, GCK, HK1 CYP1B1 2686/4885ABCB1 2218/4885CYP1A1 1834/4885

“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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