SCHEMBL20317264

SCHEMBL20317264

O=c1c2ccccc2oc2cc3c(C(F)(F)F)cccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PGAM1 P18669 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 5/20 0.43
▸ TTR P02766 2/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ CDC14B O60729 1/20 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
SCHEMBL20317262 0.94 MAOA (0.50) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL20317298 0.82 CDC14B (0.38) MAOAKDM4EALDH1A1HPGDCASP1
SCHEMBL20317275 0.81 MAOA (0.55) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL20317300 0.81 PIM1 (0.44) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL20317299 0.81 TBK1 (0.45) MAOACYP3A4MAPTSMN1; SMN2NPC1
SCHEMBL20317311 0.81 MAOA (0.40) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL20317230 0.80 CDC14B (0.41) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL20317267 0.79 MAOA (0.41) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL6901215 0.78 MAOA (0.69) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL20317245 0.78 MAOA (0.59) MAOAKDM4EALDH1A1GLACYP3A4

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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — US disclosed
US-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 MAOA 408/4885KDM4E 2074/4885ALDH1A1 1200/4885

“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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