SCHEMBL20317299

SCHEMBL20317299

O=c1c2cc(C(F)(F)F)ccc2oc2cc3cccc(C(F)(F)F)c3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.45
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ PIM1 P11309 3/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2E1 P05181 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL20317300 0.92 PIM1 (0.44) TBK1MAPTMEN1KMT2ANPSR1
SCHEMBL20317262 0.86 MAOA (0.50) TBK1MAPTMEN1KMT2ACYP3A4
SCHEMBL20317235 0.85 TBK1 (0.49) TBK1MAPTMEN1KMT2APGR
SCHEMBL20317317 0.83 NPC1 (0.48) TBK1MAPTMEN1KMT2ANPSR1
SCHEMBL20317323 0.83 ALDH1A1 (0.59) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL20317298 0.82 CDC14B (0.38) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL20346710 0.82 TBK1 (0.42) TBK1MAPTMEN1KMT2ANPSR1
SCHEMBL20317264 0.81 MAOA (0.50) TBK1MAPTMEN1KMT2ACYP3A4
SCHEMBL20317311 0.81 MAOA (0.40) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL20329614 0.79 TBK1 (0.49) TBK1MAPTMEN1KMT2ANPSR1

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 2 patents. 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
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 1906/4885MAPT 2891/4885MEN1 3576/4885

“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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