SCHEMBL20346765

SCHEMBL20346765

O=c1c2cc(F)ccc2oc2c1ccc1cc3c(cc12)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ BAK1 Q16611 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 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
SCHEMBL20346766 0.91 PDE5A (0.42) PDE5AKMT2AMEN1CYP1A1CYP1B1
SCHEMBL20346751 0.85 KDM4E (0.40) KMT2AMEN1LMNACYP1A1CYP1B1
SCHEMBL20346718 0.84 PDE5A (0.43) PDE5AKMT2AMEN1LMNABCL2L1
SCHEMBL20350104 0.84 TBK1 (0.42) KMT2AMEN1CYP1A1CYP1B1BCL2L1
SCHEMBL20350032 0.81 ALDH1A1 (0.56) LMNACYP1A1CYP1B1CYP1A2NPC1
SCHEMBL20346767 0.79 PDE5A (0.41) PDE5AKMT2AMEN1CYP1A1CYP1B1
SCHEMBL20346762 0.78 NPC1 (0.41) KMT2AMEN1CYP1A1CYP1B1BCL2L1
SCHEMBL20346763 0.78 ALDH1A1 (0.42) KMT2AMEN1LMNACYP1A1CYP1B1
SCHEMBL20346708 0.78 PDE5A (0.42) PDE5AKMT2AMEN1BCL2L1MCL1
SCHEMBL20350106 0.78 PIM1 (0.44) KMT2AMEN1LMNACYP1A1CYP1B1

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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-07-05 — — US disclosed
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 PDE5A 3763/4885KMT2A 1775/4885MEN1 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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