SCHEMBL20346650

SCHEMBL20346650

Cc1ccc2c(ccc3oc4ccc(C(F)(F)F)cc4c(=O)c32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.42
▸ KIF11 P52732 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ AKR1B1 P15121 1/20 0.38
▸ ALPG P10696 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PGR P06401 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
SCHEMBL20346700 0.92 PIM1 (0.44) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL20346649 0.91 KIF11 (0.46) TBK1KIF11MAPTMEN1KMT2A
SCHEMBL20349920 0.90 TBK1 (0.46) TBK1MAPTALDH1A1AKR1B1CYP1A1
SCHEMBL20349993 0.84 TBK1 (0.48) TBK1MAPTALDH1A1AKR1B1CYP1A1
SCHEMBL20317315 0.84 TBK1 (0.45) TBK1KIF11MAPTMEN1KMT2A
SCHEMBL20317314 0.84 TBK1 (0.45) TBK1KIF11MAPTMEN1KMT2A
SCHEMBL20346654 0.84 PIM1 (0.44) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL20346605 0.82 ABCG2 (0.45) TBK1MAPTALDH1A1CYP1A1CYP1A2
SCHEMBL20349917 0.82 PIM1 (0.49) TBK1CYP1A1CYP1A2CYP1B1PIM1
SCHEMBL20349957 0.81 CYP3A4 (0.47) MAPTMEN1KMT2ANPSR1ALDH1A1

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 1906/4885KIF11 3930/4885MAPT 2891/4885

“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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