SCHEMBL6857028

SCHEMBL6857028

COc1ccccc1COc1ccc(CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
PPARD Q03181 1/20 0.57
FFAR1 O14842 5/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PARP14 Q460N5 1/20 0.53
PARP10 Q53GL7 1/20 0.53
RORC P51449 1/20 0.53
FFAR4 Q5NUL3 2/20 0.52
ABCB1 P08183 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 1/20 0.51
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 1/20 0.49
LTB4R Q15722 2/20 0.48
LTB4R2 Q9NPC1 2/20 0.48
PTGER4 P35408 1/20 0.48

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
SCHEMBL6239647 0.89 PPARD (0.61) L3MBTL1PPARDFFAR1FFAR4PTGER4
SCHEMBL6963905 0.88 L3MBTL1 (0.73) L3MBTL1FFAR1MEN1KMT2APARP14
SCHEMBL6963910 0.85 L3MBTL1 (0.81) L3MBTL1MEN1KMT2APARP14PARP10
SCHEMBL6237724 0.82 MAOB (0.64) PPARDFFAR1FFAR4ALOX5PTGER4
SCHEMBL10690676 0.82 L3MBTL1 (0.65) L3MBTL1PPARDMEN1KMT2APARP14
SCHEMBL6237464 0.82 FFAR1 (0.55) FFAR1FFAR4
SCHEMBL4779293 0.81 ABCB1 (0.62) L3MBTL1FFAR1MEN1KMT2APARP14
SCHEMBL28141293 0.81 AKR1B1 (0.58) FFAR1FFAR4ALOX5
SCHEMBL3995720 0.81 TSHR (0.50) FFAR1KMT2AFFAR4HSD17B10ALOX5
SCHEMBL14163906 0.80 ABCB1 (0.54) L3MBTL1FFAR1MEN1KMT2APARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835724-B2 Topical antiinflammatory agents for treating inflammatory dermatoses AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-28 US disclosed
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-01 US disclosed
EP-0646593-B1 Corticoid-17,21-dicarboxylic acid ester, process for their production and medicaments containing them HOECHST AG (DE) 2001-12-05 EP disclosed
US-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 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 (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-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS NR3C1, HSD3B1, HSD17B7 L3MBTL1 3762/4885PPARD 1138/4885FFAR1 306/4885

“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.