SCHEMBL20350104

SCHEMBL20350104

O=c1c2cc(C(F)(F)F)ccc2oc2c1ccc1cc3c(cc12)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MCHR1 Q99705 2/20 0.38
▸ MAP2K4 P45985 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CYP1A1 P04798 4/20 0.35
▸ CYP1B1 Q16678 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ BCL2L1 Q07817 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAK1 Q16611 1/20 0.34
▸ PGR P06401 1/20 0.33

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
SCHEMBL20350106 0.92 PIM1 (0.44) TBK1MEN1KMT2AALDH1A1MCHR1
SCHEMBL20349987 0.85 MEN1 (0.42) TBK1MEN1KMT2AALDH1A1MCHR1
SCHEMBL20346765 0.84 PDE5A (0.41) MEN1KMT2AALDH1A1MCHR1CYP1A1
SCHEMBL20346751 0.81 KDM4E (0.40) MEN1KMT2AALDH1A1CSNK2A2CSNK2B
SCHEMBL20349988 0.80 PIM1 (0.44) TBK1MEN1KMT2AALDH1A1MCHR1
SCHEMBL20350032 0.79 ALDH1A1 (0.56) ALDH1A1MAOACYP1A1CYP1B1CYP1A2
SCHEMBL20350109 0.78 MEN1 (0.38) MEN1KMT2AALDH1A1HRH4MAOA
SCHEMBL20317351 0.78 TBK1 (0.41) TBK1MEN1KMT2AALDH1A1MCHR1
SCHEMBL20346766 0.78 PDE5A (0.42) MEN1KMT2AALDH1A1MCHR1MAP2K4
SCHEMBL20346764 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP1A1CYP1B1

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 1906/4885MEN1 3576/4885KMT2A 1775/4885

“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.

Send feedback