SCHEMBL3593817

SCHEMBL3593817

CCc1cccc2c(O)c(O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
IAPP P10997 4/20 0.46
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.42
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CETP P11597 1/20 0.40
ATP1A1 P05023 1/20 0.40
ATP1B1 P05026 1/20 0.40
ATP1A3 P13637 1/20 0.40
ATP1B2 P14415 1/20 0.40
ATP1A2 P50993 1/20 0.40
ATP1B3 P54709 1/20 0.40
FXYD2 P54710 1/20 0.40
ATP1A4 Q13733 1/20 0.40
CYBB P04839 1/20 0.39

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
SCHEMBL3952889 0.86 GABRA1 (0.64) GABRA1GABRB2IAPPDAODDO
SCHEMBL3954604 0.84 GABRA1 (0.50) GABRA1GABRB2IAPPDAODDO
SCHEMBL3584443 0.81 GABRA1 (0.56) GABRA1GABRB2IAPPDAODDO
SCHEMBL3238496 0.80 GABRA1 (0.57) GABRA1GABRB2DAODDOALDH1A1
SCHEMBL26059361 0.79 TYR (0.53) IAPP
SCHEMBL27807373 0.78 HMGB1 (0.56) GABRA1GABRB2ALDH1A1
SCHEMBL5681182 0.78 GABRA1 (0.46) GABRA1GABRB2DAODDOLMNA
SCHEMBL3955098 0.77 IDO1 (0.59) GABRA1GABRB2
SCHEMBL30023472 0.76 GABRA1 (0.76) GABRA1GABRB2IAPPALDH1A1LMNA
SCHEMBL26253878 0.76 GABRA1 (0.54) GABRA1GABRB2DAODDOALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230244142-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 US disclosed
US-20230244142-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 US disclosed
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 US disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 EP 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 (2 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-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A GABRA1 4019/4885GABRB2 4267/4885IAPP 3956/4885
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A GABRA1 4019/4885GABRB2 4267/4885IAPP 3956/4885

“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.