SCHEMBL3701645

SCHEMBL3701645

CCCc1nc(CCC)c(C)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
POLB P06746 2/20 0.36
KDM4C Q9H3R0 1/20 0.34
SMPD3 Q9NY59 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL11115095 0.89 ADORA1 (0.39) GLAPOLBSMPD3KDM4EADORA3
SCHEMBL11307460 0.85 GLA (0.35) GLAPOLBKDM4CSMPD3KDM4E
SCHEMBL3703329 0.79 GLA (0.40) GLAPOLBKDM4CKDM4EADORA3
SCHEMBL5851856 0.79 SMPD3 (0.34) GLAPOLBSMPD3KDM4EADORA3
Iodide SCHEMBL632378 0.77 GLA (0.39) GLAPOLBKDM4CKDM4EADORA3
SCHEMBL3701880 0.77 GLA (0.39) GLAPOLBKDM4CKDM4EADORA3
SCHEMBL988611 0.76 SMPD3 (0.33) POLBSMPD3KDM4EALDH1A1
SCHEMBL3697669 0.76 GLA (0.38) GLAPOLBKDM4CKDM4EADORA3
SCHEMBL3684265 0.74 SIRT1 (0.37) POLBSMPD3KDM4EALDH1A1
SCHEMBL569504 0.74 GPR84 (0.45) MAPK1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP disclosed
CN-109476803-B Amine compositions useful for making polyurethane foams 赢创运营有限公司 2022-04-12 CN disclosed
US-11021561-B2 Amine composition useful for making polyurethane foam EVONIK OPERATIONS GMBH (DE) 2021-06-01 US disclosed
EP-3481878-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM Evonik Degussa GmbH (DE) 2019-05-15 EP disclosed
CN-109476803-A It can be used for manufacturing the amine composition of polyurethane foam 赢创德固赛有限公司 2019-03-15 CN disclosed
WO-2018013590-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK DEGUSSA GMBH (DE) 2018-01-18 WO disclosed
US-20180009930-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2018-01-11 US disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 WO 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM GLA 2364/4885POLB 3561/4885KDM4C 715/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM GLA 2364/4885POLB 3561/4885KDM4C 715/4885

“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.