SCHEMBL20350085

SCHEMBL20350085

COc1ccc2c(=O)c3ccc4cc5c(cc4c3oc2c1)OCO5

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CLK1 P49759 1/20 0.45
▸ PDE5A O76074 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ POLB P06746 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ HPGD P15428 4/20 0.43

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
SCHEMBL20350032 0.92 ALDH1A1 (0.56) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20349998 0.85 CYP3A4 (0.55) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20346763 0.84 ALDH1A1 (0.42) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20346766 0.81 PDE5A (0.42) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20350033 0.79 MAOA (0.54) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20317344 0.79 CYP3A4 (0.53) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20350031 0.78 MAOA (0.52) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20350106 0.78 PIM1 (0.44) MAOACYP1A2LMNAALDH1A1MEN1
SCHEMBL20346751 0.78 KDM4E (0.40) CYP3A4CYP1A2NPC1RAB9AMAPT
SCHEMBL20349968 0.77 ALDH1A1 (0.58) MAOACYP3A4CYP1A2CYP2C9CYP2C19

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 MAOA 408/4885CYP3A4 335/4885CYP1A2 76/4885

“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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