SCHEMBL20346700

SCHEMBL20346700

Cc1ccc2c(ccc3oc4cc(C(F)(F)F)ccc4c(=O)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ KIF11 P52732 2/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL20346650 0.92 TBK1 (0.42) PIM1PIM3ALDH1A1KIF11MAPT
SCHEMBL20346654 0.92 PIM1 (0.44) PIM1PIM3ALDH1A1KIF11ESR1
SCHEMBL20349917 0.90 PIM1 (0.49) PIM1PIM3ESR1ESR2CA1
SCHEMBL20349991 0.85 PIM1 (0.49) PIM1PIM3ALDH1A1ESR1ESR2
SCHEMBL20317309 0.84 PIM1 (0.44) PIM1PIM3ALDH1A1KIF11ESR1
SCHEMBL20317301 0.84 PIM1 (0.44) PIM1PIM3ALDH1A1KIF11ESR1
SCHEMBL20346627 0.84 CYP1A1 (0.46) PIM1PIM3ALDH1A1MAPTHPGD
SCHEMBL20346649 0.83 KIF11 (0.46) PIM1ALDH1A1KIF11MAPTMEN1
SCHEMBL20349920 0.82 TBK1 (0.46) PIM1PIM3ALDH1A1MAPTHPGD
SCHEMBL20349957 0.81 CYP3A4 (0.47) PIM1PIM3ALDH1A1MAPTMEN1

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 PIM1 4880/4885PIM3 4881/4885ALDH1A1 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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