SCHEMBL3389596

SCHEMBL3389596

CCNCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
RAD52 P43351 1/20 0.47
CXCR4 P61073 2/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PRMT6 Q96LA8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
CARM1 Q86X55 1/20 0.37
PRMT8 Q9NR22 1/20 0.37

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
SCHEMBL14980614 0.96 HSD17B10 (0.47) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL13078379 0.96 HSD17B10 (0.47) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL24971199 0.92 CXCR4 (0.58) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL13522068 0.88 CXCR4 (0.52) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL845511 0.86 HSD17B10 (0.57) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL22416418 0.85 HSD17B10 (0.48) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL14980595 0.85 CYP3A4 (0.39) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL29860764 0.84 HSD17B10 (0.55) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL4783223 0.84 ACE2 (0.54) ALOX15TSHRMEN1KMT2APRMT6
SCHEMBL19619099 0.83 HSD17B10 (0.47) HSD17B10CYP3A4CYP2D6ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197080-A Polyethylene glycol lipid and liposome modified by same, pharmaceutical composition containing liposome, preparation and application of pharmaceutical composition 厦门赛诺邦格生物科技股份有限公司 2022-10-18 CN claimed
CN-113501796-B Aminoethylated piperazine and preparation method thereof 大连理工大学 2022-08-26 CN disclosed
CN-113477052-B Aminoethylated piperazine, preparation method thereof, carbon dioxide absorbent and application thereof 大连理工大学 2022-05-24 CN disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
CN-113501796-A Aminoethylated piperazine and preparation method thereof 大连理工大学 2021-10-15 CN disclosed
CN-113477052-A Aminoethylated piperazine, preparation method thereof, carbon dioxide absorbent and application thereof 大连理工大学 2021-10-08 CN disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7288571-B2 Thyroid receptor ligands and method II KARO BIO AB (SE) 2007-10-30 US disclosed
US-7217447-B2 Ink-jet recording sheet FUJIFILM CORPORATION (JP) 2007-05-15 US disclosed
US-6749651-B2 PREVENT AND CONTROL ENGINE DEPOSITS, PARTICULARLY INTAKE VALVE DEPOSITS; IMPROVED COMPATIBILITY CHEVRON ORONITE COMPANY LLC 2004-06-15 US disclosed
US-6733551-B2 BLENDING TOGETHER MANNICH CONDENSATION PRODUCT OF HIGH MOLECULAR WEIGHT ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOUND, AMINE AND ALDEHYDE, HYDROCARBYL-TERMINATED POLY(OXYALKYLENE) MONOOL, CARBOXYLIC ACID, AND SELECTED ANHYDRIDE CHEVRON ORONITE COMPANY LLC 2004-05-11 US disclosed
EP-1375629-A2 A method of improving the compatibility of a fuel additive composition containing a Mannich condensation product Chevron Oronite Company LLC (US) 2004-01-02 EP disclosed
US-20040000089-A1 Method of improving the compatibility of a fuel additive composition containing a mannich condensation product CHEVRON ORONITE COMPANY LLC 2004-01-01 US disclosed
US-20030172582-A1 Fuel additive compositions containing a mannich condensation product, a poly (oxyalkylene) monool, and a carboxylic acid CHEVRON ORONITE COMPANY LLC 2003-09-18 US disclosed
EP-1323814-A2 Fuel additive compositions containing a Mannich condensation product, a poly(oxyalkylene) monool, and a carboxylic acid Chevron Oronite Company LLC (US) 2003-07-02 EP disclosed
EP-0219035-A2 Process for the preparation of polyamines, and their use in the preparation of polyurethanes BAYER AG (DE) 1987-04-22 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 (3 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HSD17B10 1796/4885CYP3A4 2573/4885CYP2D6 3685/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 HSD17B10 1430/4885CYP3A4 1143/4885CYP2D6 1950/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HSD17B10 1796/4885CYP3A4 2573/4885CYP2D6 3685/4885

“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.