SCHEMBL5350601

SCHEMBL5350601

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
NAAA Q02083 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LTA4H P09960 1/20 0.42
AGXT P21549 1/20 0.41
CA2 P00918 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL10711167 1.00 TSHR (0.58) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL20196494 1.00 TSHR (0.58) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL1476186 1.00 TSHR (0.58) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL17932915 1.00 TSHR (0.58) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL10709681 1.00 TSHR (0.58) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL6267245 1.00 TSHR (0.58) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL155729 0.98 TSHR (0.61) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL24773460 0.94 L3MBTL1 (0.53) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL24773086 0.94 L3MBTL1 (0.53) TSHRNAAATDP1L3MBTL1IDO1
SCHEMBL13909725 0.94 L3MBTL1 (0.57) TSHRNAAATDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005102976-A1 PROCESS FOR PREPARING NONAETHYLENE GLYCOL MONOMETHYL ETHER SMITHKLINE BEECHAM CORPORATION (US) 2005-11-03 WO claimed
US-7217409-B2 Alkanoic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
US-7002012-B2 Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders SMITHKLINE BEECHAM CORPORATION (US) 2006-02-21 US disclosed
WO-2005102976-A1 PROCESS FOR PREPARING NONAETHYLENE GLYCOL MONOMETHYL ETHER SMITHKLINE BEECHAM CORPORATION (US) 2005-11-03 WO disclosed
EP-0970081-B1 SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS GLAXO GROUP LTD (GB) 2005-09-14 EP disclosed
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 US disclosed
US-20040067202-A1 Novel alkanoic acid derivaties GLAXO GROUP LIMITED (GB) 2004-04-08 US disclosed
US-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 US disclosed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 EP disclosed
US-20030181471-A1 Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders DALUGE SUSAN MARY (US) 2003-09-25 US disclosed
US-6608069-B1 Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis SMITHKLINE BEECHAM CORPORATION 2003-08-19 US disclosed
EP-1318973-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-18 EP disclosed
US-20030032804-A1 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2003-02-13 US disclosed
US-6437124-B1 XANTHINE DERIVATIVES WHICH INHIBIT EXPRESSION OF ADHESION MOLECULES ON HUMAN UMBILICAL VEIN ENDOTHELIAL CELL (HUVEC) MONOLAYERS AT VERY LOW CONCENTRATIONS SMITHKLINE BEECHAM CORPORATION 2002-08-20 US disclosed
WO-2002024623-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-28 WO disclosed
US-6355646-B1 IMMUNOLOGY TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS SEPTIC SHOCK GLAXO WELLCOME INC. 2002-03-12 US disclosed
EP-1104422-A1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-06 EP disclosed
WO-2000009507-A1 PHENYL YANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-02-24 WO disclosed
EP-0970081-A1 SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035966-A1 SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 1998-08-20 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 (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-20040067202-A1 Novel alkanoic acid derivaties ALK, FFAR1, FFAR3 TSHR 2123/4885NAAA 1409/4885TDP1 1967/4885
US-20030181471-A1 Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders NOD1, PURB, NOD2 TSHR 4663/4885NAAA 3756/4885TDP1 1764/4885
US-20040034020-A1 Methods of treating periodontal disease MMP8, LPO, PTGES3 TSHR 3131/4885NAAA 736/4885TDP1 2690/4885
US-20030032804-A1 Methods of treating periodontal disease HPGDS, SELP, ALPI TSHR 3123/4885NAAA 3266/4885TDP1 3173/4885

“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.