SCHEMBL16737814

SCHEMBL16737814

CCC(NC(N)=O)N(CC)CC.CN(C)CCCNC(=O)NCCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.39
HPGD P15428 1/20 0.35
EPHX1 P07099 6/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PAOX Q6QHF9 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
SCHEMBL9729535 0.80 CA1 (0.34) LMNA
SCHEMBL16737815 0.75 ALDH1A1 (0.46) DNM1EPHX1KDM4ELMNAALDH1A1
SCHEMBL36169 0.74 DNM1 (0.55) DNM1HPGDEPHX1KDM4ELMNA
SCHEMBL12462896 0.74 DNM1 (0.49) DNM1HPGDEPHX1KDM4EPAOX
Hydrochloric Acid SCHEMBL10730965 0.73 DNM1 (0.53) DNM1HPGDEPHX1KDM4ELMNA
SCHEMBL60002 0.71 DNM1 (0.53) DNM1HPGDEPHX1KDM4EALDH1A1
SCHEMBL20972405 0.71 EPHX1 (0.63) DNM1EPHX1KDM4E
SCHEMBL11149127 0.71 EPHX1 (0.58) DNM1HPGDEPHX1KDM4EPAOX
SCHEMBL186589 0.71 DNM1 (0.52) DNM1HPGDKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL218974 0.70 DNM1 (0.51) DNM1HPGDEPHX1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954722-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM Evonik Operations GmbH (DE) 2022-02-16 EP claimed
US-20220033603-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-02-03 US claimed
EP-3954722-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM Evonik Operations GmbH (DE) 2022-02-16 EP disclosed
US-20220033603-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-02-03 US disclosed
US-10815351-B2 Polyurethane foam production process, pre-mix, formulation, and product EVONIK OPERATIONS GMBH (DE) 2020-10-27 US disclosed
EP-2831130-B1 POLYURETHANE FOAM PRODUCTION PROCESS, PRE-MIX, FORMULATION, AND PRODUCT EVONIK OPERATIONS GMBH (DE) 2020-01-08 EP disclosed
US-20190100638-A1 POLYURETHANE FOAM PRODUCTION PROCESS, PRE-MIX, FORMULATION, AND PRODUCT EVONIK OPERATIONS GMBH (DE) 2019-04-04 US disclosed
US-10144811-B2 Polyurethane foam production process, pre-mix formulation, and product EVONIK DEGUSSA GMBH (DE) 2018-12-04 US disclosed
US-20180171064-A1 ALDEHYDE SCAVENGERS FOR POLYURETHANE FOAMS EVONIK OPERATIONS GMBH (DE) 2018-06-21 US disclosed
US-20150148438-A1 POLYURETHANE FOAM PRODUCTION PROCESS, PRE-MIX FORMULATION, AND PRODUCT AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-05-28 US 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 (1 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-20220033603-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM PUF60, FUS, PCBP1 DNM1 4813/4885HPGD 1613/4885EPHX1 2917/4885

“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.