SCHEMBL92223

SCHEMBL92223

CC(=O)Nc1ccc(OCCO)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 4/20 0.63
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
TBXAS1 P24557 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 1/20 0.55
EPHX2 P34913 1/20 0.53
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL11111056 0.91 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL11070291 0.90 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL15223764 0.90 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL10802880 0.89 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL10457898 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL9570672 0.87 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL9570550 0.87 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL1133893 0.86 KMT2A (0.74) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL3223930 0.86 LMNA (0.74) ALDH1A1KMT2AMEN1LMNACYP1A2
Diamfenetide SCHEMBL168664 0.86 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 US claimed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 EP claimed
WO-2005074930-A1 PHARMACEUTICAL COMBINATIONS OF (S) -PANTOPRAZOLE WITH NSAID OR CORTICOSTEROIDS ALTANA PHARMA AG (DE) 2005-08-18 WO claimed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 US claimed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 WO claimed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
WO-1999001607-A2 ENZYMATIC OXIDATION SYSTEM WITH NOVEL ENZYMATIC-EFFECT ENHANCING COMPOUNDS CALL, KRIMHILD (DE) 1999-01-14 WO claimed
US-4014921-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY ALTER, S.A. (ES) 1977-03-29 US claimed
US-20170182047-A9 Post-Translational Regulation of Catalytic Activities of Cytochrome P450 46A1 and Uses Thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-29 US disclosed
US-20140073652-A1 Post-Translational Regulation of Catalytic Activities of Cytochrome P450 46A1 and Uses Thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-13 US disclosed
US-8242146-B2 Administering ROFLUMILAS and DICLOFENAC; antiinflammatory agents NYCOMED GMBH (DE) 2012-08-14 US disclosed
US-8129308-B2 Thermal transfer image-receiving sheet and surface condition improver FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-0015124-B1 PARASITICIDAL HETEROCYCLIC ETHER DERIVATIVES, PROCESSES FOR THE MANUFACTURE THEREOF AND COMPOSITIONS THEREOF ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP disclosed
EP-0015124-A1 Parasiticidal heterocyclic ether derivatives, processes for the manufacture thereof and compositions thereof ICI AUSTRALIA LIMITED (AU) 1980-09-03 EP disclosed
US-4014921-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY ALTER, S.A. (ES) 1977-03-29 US disclosed
US-4014921-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY ALTER, S.A. (ES) 1977-03-29 US disclosed
US-4014921-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY ALTER, S.A. (ES) 1977-03-29 US disclosed
US-3957999-A ADMINISTERING THE BOOTS COMPANY (EN) 1976-05-18 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 (2 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-20140073652-A1 Post-Translational Regulation of Catalytic Activities of Cytochrome P450 46A1 and Uses Thereof CYP46A1, CYP11A1, CYP27A1 ALDH1A1 1724/4885KMT2A 3468/4885MEN1 4409/4885
US-20170182047-A9 Post-Translational Regulation of Catalytic Activities of Cytochrome P450 46A1 and Uses Thereof CYP46A1, CYP11A1, CYP27A1 ALDH1A1 1724/4885KMT2A 3468/4885MEN1 4409/4885

“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.