SCHEMBL20329691

SCHEMBL20329691

O=c1c2ccccc2oc2cc3ccc(C(F)(F)F)cc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GLA P06280 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 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2E1 P05181 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL20329692 1.00 MAOA (0.50) MAOACYP3A4MAPTALDH1A1KDM4E
SCHEMBL20329767 0.90 PIM1 (0.49) MAOAHSD17B10NPC1CYP1A1CYP1A2
SCHEMBL20329612 0.90 PIM1 (0.49) MAOAHSD17B10NPC1CYP1A1CYP1A2
SCHEMBL20329647 0.90 TBK1 (0.49) MAOACYP3A4MAPTALDH1A1KDM4E
SCHEMBL20329614 0.90 TBK1 (0.49) MAOACYP3A4MAPTALDH1A1KDM4E
SCHEMBL20317235 0.87 TBK1 (0.49) MAOACYP3A4MAPTALDH1A1KDM4E
SCHEMBL20317238 0.87 PIM1 (0.49) MAOACYP3A4MAPTALDH1A1KDM4E
SCHEMBL2515353 0.85 MAOA (0.60) MAOACYP3A4MAPTALDH1A1KDM4E
SCHEMBL20329611 0.83 PGAM1 (0.38) CYP3A4MAPTPGAM1MEN1KMT2A
SCHEMBL20329664 0.83 PGAM1 (0.38) CYP3A4MAPTPGAM1MEN1KMT2A

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-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 408/4885CYP3A4 335/4885MAPT 2891/4885

“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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