SCHEMBL20317314

SCHEMBL20317314

Cc1ccc2cc3oc4ccc(C(F)(F)F)cc4c(=O)c3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KIF11 P52732 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL20317315 1.00 TBK1 (0.45) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20317301 0.92 PIM1 (0.44) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20317309 0.92 PIM1 (0.44) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20329614 0.90 TBK1 (0.49) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20329647 0.90 TBK1 (0.49) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20317235 0.85 TBK1 (0.49) TBK1MAPTMEN1KMT2AALDH1A1
SCHEMBL20329740 0.85 ALDH1A1 (0.58) TBK1MAPTMEN1KMT2AALDH1A1
SCHEMBL20346650 0.84 TBK1 (0.42) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20346649 0.83 KIF11 (0.46) TBK1MAPTRXFP1MEN1KMT2A
SCHEMBL20317328 0.82 KMT2A (0.47) MAPTRXFP1MEN1KMT2ANPSR1

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 1906/4885MAPT 2891/4885RXFP1 385/4885

“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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