SCHEMBL20349997

SCHEMBL20349997

COc1ccc2oc3c(C4Oc5cc6ccc7oc8c(OC)cccc8c(=O)c7c6cc5O4)cc4cc5c(cc4c3c(=O)c2c1)OCO5

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ EDNRB P24530 1/20 0.34

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
SCHEMBL20349999 0.84 MAOA (0.55) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20349968 0.79 ALDH1A1 (0.58) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20349923 0.78 MAOA (0.68) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20350032 0.75 ALDH1A1 (0.56) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20349949 0.75 MAOA (0.70) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20350033 0.72 MAOA (0.54) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20349996 0.72 MAOA (0.52) MAOAALDH1A1NPC1RAB9AMEN1
SCHEMBL20349998 0.72 CYP3A4 (0.55) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20350031 0.72 MAOA (0.52) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL20350130 0.71 MAOA (0.51) MAOAALDH1A1KDM4ENPC1RAB9A

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 408/4885ALDH1A1 1200/4885KDM4E 2074/4885

“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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