SCHEMBL5078440

SCHEMBL5078440

C=C(C)C(=O)NCC(CCCCCCCCCC)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 2/20 0.36
GPR84 Q9NQS5 5/20 0.35
FFAR1 O14842 1/20 0.35
ZDHHC7 Q9NXF8 2/20 0.35
EPHX1 P07099 3/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 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
Hydrochloric Acid SCHEMBL1548090 0.85 GNAI3 (0.40) ZDHHC20ZDHHC2THRATHRBEPHX1
SCHEMBL14955537 0.85 DPP7 (0.37) ZDHHC20ZDHHC2THRATHRBTSHR
SCHEMBL443990 0.81 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL6117766 0.81 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL442618 0.81 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL440561 0.81 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL442233 0.80 ACE2 (0.46) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL439287 0.80 ACE2 (0.46) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL440272 0.80 LMNA (0.41) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL4300740 0.77 PAOX (0.36) LCKPPARDZDHHC20ZDHHC2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524827-B2 Against peroxide formation; treating with sulfur dioxide, sulfurous acid or alkali metal sulfites and then with a free radical scavenger, preferably an ascorbate, and drying to a powder BASF SE (DE) 2013-09-03 US disclosed
US-8486428-B2 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-16 US disclosed
US-20080139724-A1 Method For the Stabilization of Polyvinylpyrrolidones BASF AKTIENGESELLSCHAFT (DE) 2008-06-12 US disclosed
US-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-09-27 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-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles NAAA, NIT2, AADAC LCK 2438/4885PPARD 4765/4885ZDHHC20 308/4885

“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.