SCHEMBL20329767

SCHEMBL20329767

O=c1c2ccc(C(F)(F)F)cc2oc2cc3ccc(C(F)(F)F)cc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ TBK1 Q9UHD2 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.40
▸ ESR1 P03372 1/20 0.37
▸ MAOA P21397 3/20 0.37
▸ AR P10275 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KCNMA1 Q12791 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35

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
SCHEMBL20329612 1.00 PIM1 (0.49) PIM1PIM3TBK1PIM2ESR1
SCHEMBL20329647 0.91 TBK1 (0.49) PIM1PIM3TBK1PIM2ESR1
SCHEMBL20317238 0.91 PIM1 (0.49) PIM1PIM3TBK1MAOANPC1
SCHEMBL20329614 0.91 TBK1 (0.49) PIM1PIM3TBK1PIM2ESR1
SCHEMBL20317301 0.90 PIM1 (0.44) PIM1PIM3TBK1ESR1DYRK1A
SCHEMBL20317309 0.90 PIM1 (0.44) PIM1PIM3TBK1ESR1DYRK1A
SCHEMBL20329692 0.90 MAOA (0.50) PIM1PIM3TBK1ESR1MAOA
SCHEMBL20329691 0.90 MAOA (0.50) PIM1PIM3TBK1ESR1MAOA
SCHEMBL20329743 0.88 NPC1 (0.52) PIM1PIM3MAOANPC1RAB9A
SCHEMBL20329668 0.88 NPC1 (0.56) MAOANPC1RAB9AHSD17B10CA1

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 PIM1 4880/4885PIM3 4881/4885TBK1 1906/4885

“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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