SCHEMBL20349993

SCHEMBL20349993

O=c1c2cc(C(F)(F)F)ccc2oc2ccc3ccc(C(F)(F)F)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.48
▸ PIM1 P11309 3/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ PGR P06401 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ PIM3 Q86V86 2/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39

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
SCHEMBL20346649 0.92 KIF11 (0.46) TBK1PIM1PIM2PGRNPC1
SCHEMBL20346605 0.91 ABCG2 (0.45) TBK1PIM1PIM2PGRMAPT
SCHEMBL20346640 0.91 CYP3A4 (0.48) TBK1PIM1PIM2MAPTSMN1; SMN2
SCHEMBL20349920 0.91 TBK1 (0.46) TBK1PIM1PIM2PGRNPC1
SCHEMBL20349991 0.91 PIM1 (0.49) TBK1PIM1PIM2PGRMAPT
SCHEMBL20350003 0.88 ALDH1A1 (0.58) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL20350021 0.88 ALDH1A1 (0.58) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL20349987 0.85 MEN1 (0.42) TBK1PIM1PIM2PGRPIM3
SCHEMBL20346650 0.84 TBK1 (0.42) TBK1PIM1PIM2PGRMAPT
SCHEMBL20349990 0.83 PGR (0.42) TBK1PIM1PIM2PGRPIM3

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 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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