SCHEMBL4135294

SCHEMBL4135294

CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(Cl)C(C)(C)C2)CC(C)(C)N1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
TBXAS1 P24557 2/20 0.33
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
PTPN1 P18031 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5448887 0.87 TSHR (0.34) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL5450327 0.87 TSHR (0.34) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL316765 0.87 TSHR (0.34) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL34980 0.87 TSHR (0.34) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL5453694 0.87 TSHR (0.34) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL9466511 0.87 TSHR (0.34) TSHRLMNANFKB1PMP22TBXAS1
Hydrochloric Acid SCHEMBL5996855 0.86 TBXAS1 (0.35) TSHRLMNANFKB1PMP22TBXAS1
Ammonia Solution, Strong SCHEMBL10013113 0.86 TSHR (0.33) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL5458895 0.86 LMNA (0.32) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL15911950 0.85 ALDH1A1 (0.33) TSHRLMNANFKB1PMP22TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138379-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-27 US disclosed
US-20150166796-A1 N-Halamines Compounds as Multifunctional Additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-18 US disclosed
EP-1838772-B1 METHOD FOR TRANSFORMATION OF CONVENTIONAL AND COMMERCIALLY IMPORTANT POLYMERS INTO DURABLE AND RECHARGEABLE ANTIMICROBIAL POLYMERIC MATERIALS UNIV TEXAS (US) 2013-11-20 EP disclosed
US-7541398-B2 Method for transformation of conventional and commercially important polymers into durable and rechargeable antimicrobial polymeric materials BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-06-02 US disclosed
US-20070062884-A1 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US disclosed
US-20060148940-A1 Method for transformation of conventional and commercially important polymers into durable and rechargeable antimicrobial polymeric materials BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-07-06 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 (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-20150166796-A1 N-Halamines Compounds as Multifunctional Additives NIT2, AAAS, NACA TSHR 2909/4885LMNA 1646/4885NFKB1 1318/4885
US-10138379-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA TSHR 2909/4885LMNA 1646/4885NFKB1 1318/4885

“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.