SCHEMBL6859776

SCHEMBL6859776

C=C(C(=O)O)C(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.50
▸ TUBB1 Q9H4B7 8/20 0.47
▸ TUBB4A P04350 5/20 0.47
▸ TUBB P07437 5/20 0.47
▸ TUBA3C P0DPH7 5/20 0.47
▸ TUBA1B P68363 5/20 0.47
▸ TUBA4A P68366 5/20 0.47
▸ TUBB4B P68371 5/20 0.47
▸ TUBB3 Q13509 5/20 0.47
▸ TUBB2A Q13885 5/20 0.47
▸ TUBB8 Q3ZCM7 5/20 0.47
▸ TUBA3E Q6PEY2 5/20 0.47
▸ TUBA1A Q71U36 5/20 0.47
▸ TUBA1C Q9BQE3 5/20 0.47
▸ TUBB6 Q9BUF5 5/20 0.47
▸ TUBB2B Q9BVA1 5/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL907576 0.85 TPMT (0.56) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4625442 0.82 TUBB1 (0.58) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL20006949 0.81 TUBB1 (0.56) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL7639319 0.81 TPMT (0.53) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL24147879 0.77 MEN1 (0.47) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL8590728 0.77 ALDH1A1 (0.51) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL23734449 0.77 TUBB1 (0.55) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL12327912 0.77 MAPT (0.54) TPMTTUBB1TUBB4ATUBBTUBA3C
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.77 TPMT (0.78) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL27987526 0.76 ALDH1A1 (0.62) TPMTTUBB1TUBB4ATUBBTUBA3C

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 7 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
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 TPMT 1794/4885TUBB1 1924/4885TUBB4A 1750/4885

“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.

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