SCHEMBL454076

SCHEMBL454076

Brc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 2/20 0.52
CYP2A6 P11509 1/20 0.47
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.36
GAA P10253 2/20 0.33
HAO1 Q9UJM8 2/20 0.33
ALAD P13716 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL28095315 0.95 ALDH1A1 (0.48) ALDH1A1MAPK1CYP2A6CA12CA2
Water SCHEMBL3824552 0.84 ALDH1A1 (0.69) ALDH1A1MAPK1CYP2A6CA12CA2
SCHEMBL208526 0.84 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL17200849 0.84 ALDH1A1 (0.35) ALDH1A1TDP1
Water SCHEMBL28104398 0.81
SCHEMBL20380 0.81
SCHEMBL196583 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1673427 0.80 ALDH1A1 (0.73) ALDH1A1MAPK1CYP2A6CA12CA2
SCHEMBL68094 0.80 ALDH1A1 (0.73) ALDH1A1MAPK1CYP2A6CA12CA2
SCHEMBL12302096 0.80 ALDH1A1 (0.73) ALDH1A1MAPK1CYP2A6CA12CA2

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 228 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 CN claimed
CN-109851602-B 14-deoxy-11,12-dehydro-8,12-epoxy-andrographolide and 15-substituted derivatives thereof 郑州大学 2023-04-11 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
EP-1303527-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS (DK) 2004-09-29 EP claimed
US-6784169-B2 METALLOPROTEASE INHIBITOR; ANTIINFLAMAMTORY AGENTS; RHEUMATIC DISORDERS; CARDIOVASCULAR DISORDERS; CONTROLLING CELL PROLIFERATION LEO PHARMACETICAL PRODUCTS LTD. (DK) 2004-08-31 US claimed
US-20030191092-A1 MMP inhibitors CHRISTENSEN METTE KNAK (DK) 2003-10-09 US claimed
US-6521606-B2 2-(4-Chlorophenoxy)-2-oxo-1,3,2-oxazaphosphorinane-3-aceto -hydroxamic acid, for example; antiathritic, -tumor, -metastasis, -proliferative and -ulcer agents; multiple sclerosis; vision defects; skin disorders LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2003-02-18 US claimed
US-20020103166-A1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-08-01 US claimed
EP-0944587-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2002-03-20 EP claimed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP claimed
US-5840974-A Metalloproteinase inhibitors BRITISCH BIOTECH PHARMACEUTICALS, LTD. (GB) 1998-11-24 US claimed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP ALDH1A1 779/4885MAPK1 4196/4885CYP2A6 1133/4885
US-20030191092-A1 MMP inhibitors MMP11, MMP1, MMP13 ALDH1A1 526/4885MAPK1 301/4885CYP2A6 190/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885MAPK1 4496/4885CYP2A6 1134/4885
US-20020103166-A1 Matrix metalloproteinase inhibitors MMP1, MMP9, MMP8 ALDH1A1 411/4885MAPK1 1321/4885CYP2A6 410/4885

“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.