SCHEMBL3022779

SCHEMBL3022779

O=CC1CCCCCCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 13/20 0.41
▸ ADH1C P00326 10/20 0.41
▸ ADH1B P00325 5/20 0.41
▸ ADH4 P08319 3/20 0.41
▸ ADH7 P40394 3/20 0.36
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 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
SCHEMBL59918 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
Cycloundecane Carbaldehyde SCHEMBL1901240 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL493755 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
Cyclopentanecarbaldehyde SCHEMBL14575123 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL3027683 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL11734533 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL26097 1.00 — —
SCHEMBL3036861 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL11341547 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
Cyclononanecarbaldehyde SCHEMBL1920808 1.00 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160127-B Method for preparing long carbon chain dibasic acid through co-oxidation reaction 中国天辰工程有限公司 2024-06-11 — — CN claimed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 — — EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 — — US disclosed
CN-101909638-B Optical blurring pigment composition suitable for use in cosmetics AVON PROD INC 2012-11-21 — — CN disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 — — WO disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 — — EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
US-20070010562-A1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-01-11 — — US disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — WO disclosed
US-4568490-A REDUCTIVE CONDENSATION WITH A CARBONYL COMPOUND ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1986-02-04 — — US disclosed
US-4537880-A Aminopropylaminobleomycin derivatives and process for preparation thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-08-27 — — US 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ADH1A 1675/4885ADH1C 1830/4885ADH1B 1522/4885
US-20070010562-A1 Nr1h4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 ADH1A 1146/4885ADH1C 2041/4885ADH1B 906/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ADH1A 3234/4885ADH1C 3739/4885ADH1B 4121/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ADH1A 1358/4885ADH1C 1568/4885ADH1B 881/4885

“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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