SCHEMBL1314968

SCHEMBL1314968

OCCCN1CCN(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 5/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL22911174 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ALMNAHTT
Methane SCHEMBL10746573 0.97 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL1616084 0.94
SCHEMBL972563 0.94 KDM4E (0.46) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL9801877 0.92 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
Fluoride SCHEMBL11250158 0.91 KDM4E (0.50) ALDH1A1KDM4EKMT2ALMNAHTT
Fluoride SCHEMBL11245451 0.91 KDM4E (0.50) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL13833159 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3971866 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL154974 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798629-A Heat-resistant polyester polyol and preparation method and application thereof 万华化学集团股份有限公司 2025-04-11 CN claimed
CN-111905524-A Flue gas desulfurizing agent, preparation method thereof and flue gas desulfurizing method 攀钢集团研究院有限公司 2020-11-10 CN claimed
CN-111905523-A Composition for removing sulfur dioxide from flue gas, preparation method thereof and flue gas desulfurization method 攀钢集团研究院有限公司 2020-11-10 CN claimed
US-8067419-B2 N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-29 US claimed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US claimed
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP claimed
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US claimed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP claimed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US claimed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 US claimed
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
WO-2007046075-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2007-04-26 WO claimed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 WO claimed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-06-08 US claimed
EP-1562955-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2005-08-17 EP claimed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO claimed

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-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS NFATC1, ICOS, TPMT ALDH1A1 867/4885KDM4E 720/4885KMT2A 2512/4885
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors SRC, ABL1, ERBB2 ALDH1A1 3374/4885KDM4E 903/4885KMT2A 637/4885

“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.