SCHEMBL20346752

SCHEMBL20346752

Cc1cccc2oc3c(ccc4cc5c(cc43)OCO5)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ BAK1 Q16611 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PRNP P04156 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAOA P21397 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 2/20 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
SCHEMBL20346717 0.85 PRNP (0.44) BCL2L1MCL1BAK1ALDH1A1HPGD
SCHEMBL20346767 0.85 PDE5A (0.41) BCL2L1MCL1BAK1CYP1A2CYP1A1
SCHEMBL20346753 0.85 POLB (0.45) BCL2L1MCL1BAK1CYP1A2ALDH1A1
SCHEMBL20346685 0.85 PDE10A (0.40) BCL2L1MCL1BAK1ALDH1A1HPGD
SCHEMBL20350033 0.84 MAOA (0.54) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL20350109 0.82 MEN1 (0.38) BCL2L1MCL1BAK1CYP1A2CYP1A1
SCHEMBL20346763 0.80 ALDH1A1 (0.42) BCL2L1MCL1BAK1CYP1A2CYP1A1
SCHEMBL20346751 0.79 KDM4E (0.40) BCL2L1MCL1BAK1CYP1A2CYP1A1
SCHEMBL20346687 0.75 NPC1 (0.39) ALDH1A1HPGDKMT2AMEN1MAOA
SCHEMBL20349999 0.75 MAOA (0.55) ALDH1A1HPGDMAOAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-07-05 — — 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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 BCL2L1 1997/4885MCL1 2241/4885BAK1 902/4885

“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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