SCHEMBL20329647

SCHEMBL20329647

O=c1c2cc(C(F)(F)F)ccc2oc2cc3cc(C(F)(F)F)ccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.49
▸ PIM1 P11309 3/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PIM3 Q86V86 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ MAOA P21397 3/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38

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
SCHEMBL20329614 1.00 TBK1 (0.49) TBK1PIM1PIM2NPC1RAB9A
SCHEMBL20329612 0.91 PIM1 (0.49) TBK1PIM1PIM2NPC1RAB9A
SCHEMBL20329767 0.91 PIM1 (0.49) TBK1PIM1PIM2NPC1RAB9A
SCHEMBL20317235 0.91 TBK1 (0.49) TBK1PIM1PIM2NPC1RAB9A
SCHEMBL20317315 0.90 TBK1 (0.45) TBK1PIM1NPC1RAB9AMAPT
SCHEMBL20317314 0.90 TBK1 (0.45) TBK1PIM1NPC1RAB9AMAPT
SCHEMBL20329692 0.90 MAOA (0.50) TBK1PIM1NPC1RAB9AMAPT
SCHEMBL20329691 0.90 MAOA (0.50) TBK1PIM1NPC1RAB9AMAPT
SCHEMBL20329637 0.88 ALDH1A1 (0.62) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL20329740 0.88 ALDH1A1 (0.58) TBK1NPC1RAB9AMAPTSMN1; SMN2

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 TBK1 1906/4885PIM1 4880/4885PIM2 4868/4885

“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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