SCHEMBL4742297

SCHEMBL4742297

CC(C)CC(C)NCCNCCNC(C)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SIGMAR1 Q99720 3/20 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
SCHEMBL4914946 1.00 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SIGMAR1
SCHEMBL5040596 1.00 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SIGMAR1
SCHEMBL1241849 0.91 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SIGMAR1
SCHEMBL4915162 0.89 CA12 (0.48) ALDH1A1TSHR
SCHEMBL4915332 0.89 CA12 (0.48) ALDH1A1TSHR
SCHEMBL16314545 0.89 SLC6A4 (0.36) ALDH1A1TSHR
SCHEMBL4915009 0.89 CA12 (0.48) ALDH1A1TSHR
SCHEMBL31453491 0.87 LMNA (0.41)
SCHEMBL7113510 0.84 CYP2C19 (0.38) ALDH1A1TSHRSIGMAR1
SCHEMBL9453455 0.79 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-20140213694-A1 Flexible Pavement Markings 3M IINOVATIVE PROPERTIES COMPANY (US) 2014-07-31 US disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
WO-2008130721-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-10-30 WO disclosed
WO-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed
US-20070031370-A1 Amine N-oxide based surfactants AIR PRODUCTS AND CHEMICALS, INC. 2007-02-08 US disclosed
US-20070022908-A1 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. 2007-02-01 US disclosed
US-20070022908-A1 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. 2007-02-01 US disclosed
US-7097705-B2 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-08-29 US disclosed
EP-0916392-B1 Surface tension reduction with alkylated polyamines AIR PROD & CHEM (US) 2003-10-29 EP disclosed
US-20030032698-A1 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. 2003-02-13 US disclosed
US-6268115-B1 SURFACTANTS, WETTING AGENTS AIR PRODUCTS AND CHEMICALS, INC. 2001-07-31 US disclosed
EP-1115033-A1 Use of alkylated polyamines in photoresist developers AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-07-11 EP disclosed
US-5939476-A WATER-BASED COATING, INK, AGRICULTURAL COMPOSITIONS AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-08-17 US disclosed
EP-0916392-A1 Surface tension reduction with alkylated polyamines AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-05-19 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 (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-20070031370-A1 Amine N-oxide based surfactants NAPEPLD, B3GNT2, MGAT3 ALDH1A1 1449/4885TSHR 2856/4885MAPK1 3236/4885

“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.