SCHEMBL39322

SCHEMBL39322

CCCOC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.81
TLR2 O60603 1/20 0.57
TLR1 Q15399 1/20 0.57
TLR6 Q9Y2C9 1/20 0.57
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
APEX1 P27695 1/20 0.51
CASP1 P29466 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL19138053 0.90 PTPN11 (0.73) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL12171178 0.90 PTPN11 (0.73) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL12171161 0.86 PTPN11 (0.60) PTPN11TLR2TLR1TLR6KDM4E
SCHEMBL17589066 0.82 PTPN11 (0.65) PTPN11TLR2TLR1TLR6KDM4E
SCHEMBL12610434 0.82 PTPN11 (0.65) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL20207027 0.82 TLR2 (0.60) PTPN11TLR2TLR1TLR6ESR1
SCHEMBL20188864 0.82 TLR2 (0.60) PTPN11TLR2TLR1TLR6ESR1
Methyl 7-Deshydroxypyrogallin-4-Carboxylate SCHEMBL12609926 0.82 PTPN11 (0.74) PTPN11KDM4EALDH1A1TDP1MEN1
SCHEMBL12610436 0.82 PTPN11 (0.65) PTPN11TLR2TLR1TLR6KDM4E
SCHEMBL12610228 0.80 PTPN11 (0.62) PTPN11TLR2TLR1TLR6KDM4E

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-9663442-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2017-05-30 US disclosed
US-9663442-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2017-05-30 US disclosed
US-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2015-12-10 US disclosed
US-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2015-12-10 US disclosed
US-8784853-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2014-07-22 US disclosed
US-8784853-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2014-07-22 US disclosed
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
US-20120230925-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2012-09-13 US disclosed
US-20120230925-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2012-09-13 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
WO-2011048011-A2 BENZOTROPOLONE DERIVATIVES AS ANTIMICROBIAL AGENTS BASF SE (DE) 2011-04-28 WO 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 (3 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-20120230925-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES CBR3, CBR1, CYP8B1 PTPN11 4013/4885TLR2 2628/4885TLR1 1985/4885
US-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT PTPN11 317/4885TLR2 4821/4885TLR1 4852/4885
US-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES CBR3, CBR1, CYP8B1 PTPN11 3826/4885TLR2 2688/4885TLR1 2118/4885

“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.