SCHEMBL2692579

SCHEMBL2692579

c1cc2ccc3c(cc-2c1)OCO3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
PTGS2 P35354 1/20 0.58
PTPRC P08575 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KIF11 P52732 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL29629010 0.95 PTGS2 (0.58) CA12CA2CA9PTGS2PTPRC
SCHEMBL30009937 0.93 PTGS2 (0.66) CA12CA2CA9PTGS2PTPRC
SCHEMBL404584 0.93 PTGS2 (0.66) CA12CA2CA9PTGS2PTPRC
SCHEMBL30469371 0.86 CYP19A1 (0.58) CA12CA2CA9PTGS2PTPRC
SCHEMBL3608296 0.86 PTGS2 (0.50) CA12CA2CA9PTGS2PTPRC
SCHEMBL980270 0.86 CYP19A1 (0.58) CA12CA2CA9PTGS2PTPRC
SCHEMBL13376227 0.86 GAA (0.67) CA12CA2CA9PTGS2PTPRC
SCHEMBL22162812 0.86 CA12 (0.58) CA12CA2CA9PTGS2PTPRC
SCHEMBL7759290 0.83 CA12 (0.56) CA12CA2CA9PTPRCNPC1
SCHEMBL14451001 0.83 CA12 (0.56) CA12CA2CA9PTGS2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2662098-A1 Use of specific compounds for changing odours Symrise AG (DE) 2013-11-13 EP claimed
EP-4580594-A1 ANTIOXIDANT COMPOSITION COMPRISING 5-DEOXYFLAVONOIDS AnalytiCon Discovery - Zweigniederlassung der BRAIN Biotech AG (DE) 2025-07-09 EP disclosed
WO-2024046834-A1 ANTIOXIDANT COMPOSITION COMPRISING 5-DEOXYFLAVONOIDS ANALYTICON DISCOVERY GMBH (DE) 2024-03-07 WO disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 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-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B CA12 4330/4885CA2 3799/4885CA9 3267/4885

“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.