SCHEMBL3021795

SCHEMBL3021795

O=CCCCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
CYP1A2 P05177 1/20 0.48
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
EPHX1 P07099 1/20 0.40
HIF1A Q16665 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4A O75164 1/20 0.38
CEL P19835 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL97095 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7350454 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL28589060 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7348016 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL14607493 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL10684366 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL8814716 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL2178636 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL98104 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL9669480 0.98 SIGMAR1 (0.46) SIGMAR1CYP1A2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947378-A Clarified polypropylene articles with improved optical properties and/or increased temperature of crystallization BASF SE 2013-02-27 CN claimed
WO-2023239887-A1 NOD1 MODULATORS AND USES THEREOF ACADEMIA SINICA (TW) 2023-12-14 WO disclosed
CN-108602750-B Method for producing compound having ester group DIC株式会社 2022-02-11 CN disclosed
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9908848-B2 Amide derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-06 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
CN-106794225-A Leptin related peptide of myristoylation and application thereof 奥尔巴尼医学院 2017-05-31 CN disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP disclosed
EP-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed
EP-0279298-B1 TRICYCLIC TRIAZOLOPYRIMIDINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1992-01-15 EP disclosed
US-4898943-A Tricyclic triazolopyrimidine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1990-02-06 US disclosed
EP-0279298-A1 Tricyclic triazolopyrimidine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1988-08-24 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 (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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA SIGMAR1 4240/4885CYP1A2 1873/4885ADH1B 703/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 SIGMAR1 3709/4885CYP1A2 3869/4885ADH1B 4344/4885

“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.