SCHEMBL3697669

SCHEMBL3697669

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
POLB P06746 3/20 0.35
KDM4C Q9H3R0 1/20 0.33
ADORA3 P0DMS8 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3693696 0.91 GLA (0.38) GLAPOLBKDM4CADORA3ADORA2A
SCHEMBL28285467 0.91 ADORA1 (0.39) GLAPOLBADORA3ADORA2AADORA1
SCHEMBL3701880 0.89 GLA (0.39) GLAPOLBKDM4CADORA3ADORA2A
SCHEMBL28285520 0.83 ADORA1 (0.39) GLAPOLBADORA3ADORA2AADORA1
SCHEMBL28286871 0.83 GLA (0.38) GLAPOLBKDM4CADORA3ADORA2A
SCHEMBL3708772 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1
SCHEMBL3696311 0.78 GLA (0.38) GLAPOLBKDM4CADORA3ADORA2A
SCHEMBL8459493 0.78 KDM4E (0.34) POLBADORA3ADORA2AADORA1KDM4E
SCHEMBL3701645 0.76 GLA (0.39) GLAPOLBKDM4CADORA3ADORA2A
SCHEMBL4356818 0.75 GLA (0.35) GLAPOLBKDM4CADORA3ADORA2A

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.